Molecular Properties | |
SMILES: | O=C(C1CCOc2cc(Cl)ccc21)N(Cc1c[nH]c(=O)[nH]c1=O)c1cncc2ccccc12 |
MW: | 462.11 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.15 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 7.14139523380416 |
Order Status | |
Ordered: | 2021-03-07 |
Synthesis Location: | enamine |
Shipped: | 2021-06-15 |
NIR-THE-5be8b355-1
0.798
ALP-POS-a0a4abd7-6
0.640
ALP-POS-a0a4abd7-8
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ALP-POS-a0a4abd7-9
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ALP-POS-a0a4abd7-7
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ALP-UNI-44c99a80-2
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ALP-UNI-44c99a80-3
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VLA-UNK-4b5c0188-1
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DAR-DIA-5ff57136-13
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VLA-UNK-5c5a631c-2
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RAL-THA-05e671eb-3
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DAR-DIA-5ff57136-17
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VLA-UCB-05e51b3f-9
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VLA-UCB-50c39ae8-6
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MAK-UNK-83e0a0b4-3
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VLA-UNK-5c5a631c-1
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VLA-UNK-5c5a631c-3
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VLA-UCB-05e51b3f-4
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VLA-UCB-50c39ae8-1
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WIL-UCB-7ba4ac3a-2
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MAK-UNK-3875bbc8-2
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VLA-UCB-34f3ed0c-20
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DAR-DIA-5ff57136-19
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VLA-UCB-05e51b3f-10
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VLA-UCB-50c39ae8-7
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MAT-POS-090737b9-1
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VLA-UCB-34f3ed0c-19
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JOH-UNI-ea72002d-1
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PET-UNK-064639eb-3
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PET-UNK-064639eb-6
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JOH-UNI-ea72002d-6
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BEN-DND-d1eb1f41-17
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MAT-POS-9db1e783-3
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DAR-DIA-5ff57136-9
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JOH-UNI-ea72002d-7
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DAR-DIA-5ff57136-16
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DAR-DIA-5ff57136-11
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VLA-UCB-34f3ed0c-1
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DAR-DIA-5ff57136-14
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DAR-DIA-5ff57136-18
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ALP-POS-6d96567b-1
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DAR-DIA-5ff57136-15
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JOH-UNI-21fd6073-3
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VLA-UCB-05e51b3f-7
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VLA-UCB-50c39ae8-4
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DAR-DIA-5ff57136-10
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JOH-UNI-21fd6073-4
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DAR-DIA-5ff57136-12
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MAK-UNK-3875bbc8-3
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MAK-UNK-83e0a0b4-4
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MAT-POS-b3e365b9-1
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MAT-POS-b3e365b9-2
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VLA-UCB-1dbca3b4-15
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MAT-POS-f7918075-1
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MAK-UNK-3875bbc8-1
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DAR-DIA-6a508060-1
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ALP-UNI-3735e77e-3
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RAL-THA-05e671eb-11
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JOH-UNI-21fd6073-1
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RYA-UNI-6d7114fd-1
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RAL-THA-05e671eb-2
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ALP-POS-869ac754-1
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ALF-EVA-a24cc7ce-2
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ALP-POS-d91e0300-1
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MAT-POS-a13804f0-3
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RAL-THA-05e671eb-10
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ALP-POS-fe871b40-9
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MAT-POS-a13804f0-2
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NIR-THE-af15c15d-1
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RAL-THA-05e671eb-12
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NIR-THE-47736cde-1
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MAT-POS-e69ad64a-2
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NIR-THE-47736cde-2
0.366
ALP-UNI-44c99a80-1
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CHE-UNK-1fcbaeee-2
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NIR-THE-2069301b-1
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DAR-DIA-b4e9dd8d-3
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DAR-DIA-b4e9dd8d-1
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DAR-DIA-b4e9dd8d-6
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RAL-THA-05e671eb-9
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JOH-UNI-21fd6073-2
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RAL-THA-05e671eb-13
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RAL-THA-05e671eb-14
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CHE-UNK-1fcbaeee-3
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RAL-THA-05e671eb-15
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RAL-THA-05e671eb-26
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ALP-POS-a0a4abd7-1
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PET-UNK-064639eb-2
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PET-UNK-064639eb-5
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ALP-UNI-44c99a80-4
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ALF-EVA-5b152d2f-4
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JOH-UNI-a38a7bdd-2
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MAT-POS-e69ad64a-1
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DAR-DIA-6a508060-2
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JOH-UNI-a38a7bdd-5
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ALF-EVA-5b152d2f-6
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NAU-LAT-4ce8bf23-2
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PET-UNK-064639eb-1
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PET-UNK-064639eb-4
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JOH-UNI-ea72002d-4
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