Molecular Properties | |
SMILES: | CC(C)(C#N)CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 482.12 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0976528126639663 |
Order Status | |
Ordered: | 2021-09-08 |
Synthesis Location: | enamine |
Shipped: | 2021-10-20 |
Hetero_hetero
PET-UNK-ff046148-4
PET-UNK-ff046148-2
PET-UNK-ff046148-1
PET-UNK-ff046148-3
PET-UNK-de87a406-1
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PET-UNK-757f8bc8-9
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PET-UNK-757f8bc8-3
PET-UNK-757f8bc8-2
PET-UNK-757f8bc8-1
PET-UNK-757f8bc8-4
PET-UNK-757f8bc8-5
MAT-POS-5cd9ea36-1
1.000
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1.000
PET-UNK-af70882d-1
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MAT-POS-bf364d7a-5
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EDJ-MED-7f6e5b75-1
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PET-UNK-de87a406-1
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EDJ-MED-4fff0a85-2
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EDJ-MED-76744c27-2
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EDJ-MED-76744c27-7
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MAT-POS-4223bc15-6
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MAT-POS-5cd9ea36-24
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PET-UNK-af70882d-3
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EDJ-MED-76744c27-5
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PET-UNK-ff046148-3
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BRU-THA-d60fe444-1
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MAT-POS-dc2604c4-4
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MAT-POS-e194df51-1
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MAT-POS-e194df51-2
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JOH-SUS-07b743f6-6
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PET-UNK-d61f3ea6-2
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MAT-POS-24589f88-2
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MAT-POS-24589f88-3
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ANN-CHE-e1757302-2
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ALF-EVA-0e90125c-4
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PET-UNK-615ad708-5
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PET-UNK-af70882d-2
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PET-UNK-615ad708-2
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PET-UNK-ff046148-1
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JOH-SUS-07b743f6-3
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MAT-POS-bf364d7a-3
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ALP-POS-07e1ed01-1
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MAT-POS-dc2604c4-3
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MAT-POS-5cd9ea36-8
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JOH-SUS-07b743f6-2
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MAT-POS-777f5926-4
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ALF-EVA-07677224-3
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ALF-EVA-07677224-7
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MAT-POS-bf364d7a-7
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MAT-POS-4223bc15-1
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PET-UNK-94036022-1
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ANN-CHE-e1757302-5
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ANN-CHE-e1757302-3
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XIA-UNK-284f966f-1
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PET-UNK-94036022-8
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MAT-POS-5cd9ea36-5
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MAT-POS-bf364d7a-1
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MAT-POS-5cd9ea36-4
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MAT-POS-5cd9ea36-21
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MAT-POS-5cd9ea36-6
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MAT-POS-bf364d7a-9
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MAT-POS-bf364d7a-10
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MAT-POS-5cd9ea36-19
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MAT-POS-5cd9ea36-18
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MAT-POS-4223bc15-7
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ALF-EVA-0e90125c-6
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EDJ-MED-4fff0a85-1
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MAT-POS-bf364d7a-12
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MAT-POS-5cd9ea36-7
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MAT-POS-bf364d7a-11
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MAT-POS-4223bc15-13
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BRU-THA-98e973b9-1
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EDJ-MED-1981ceba-4
0.680
MAT-POS-5cd9ea36-16
0.680