Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1 |
MW: | 347.16 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.41 |
cLogP: | 2.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z27764092 |
Mcule: | MCULE-9168325797 |
MolPort: | MolPort-004-064-378 |
Activity Data | |
IC50 (µM) - Fluorescence: | 8.76136877730282 |
IC50 (µM) - RapidFire: | 18.7575476054439 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-01 |
AAR-POS-d2a4d1df-1
KRI-MAR-d2e3ef86-5
1.000
ERI-UCB-a0b0dbcb-12
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ERI-UCB-a0b0dbcb-14
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ERI-UCB-a0b0dbcb-13
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ERI-UCB-a0b0dbcb-11
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BEN-DND-7e92b6ca-6
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ALP-POS-3fc1724e-3
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KRI-MAR-d2e3ef86-6
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EDJ-MED-78f964c8-1
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MAT-POS-916a2c5a-4
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ALP-POS-3fc1724e-4
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BEN-DND-7e92b6ca-7
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BEN-DND-7e92b6ca-14
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BEN-DND-7e92b6ca-16
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ERI-UCB-a0b0dbcb-2
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BEN-DND-7e92b6ca-15
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KRI-MAR-d2e3ef86-13
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KRI-MAR-d2e3ef86-4
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MAR-UCB-f313ec4d-5
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ERI-UCB-a0b0dbcb-4
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EDJ-MED-d1cd9639-1
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NAU-LAT-56d5284e-2
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NAU-LAT-56d5284e-3
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BEN-DND-7e92b6ca-9
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ERI-UCB-d6de1f3c-1
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NAU-LAT-56d5284e-8
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MAT-POS-590ac91e-58
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MAK-UNK-df1a028e-2
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DAR-DIA-53551c05-20
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BEN-DND-7e92b6ca-4
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MAT-POS-590ac91e-56
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MAT-POS-590ac91e-57
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ERI-UCB-d6de1f3c-3
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BEN-DND-7e92b6ca-5
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MAR-UCB-d1255a91-1
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MAT-POS-590ac91e-70
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ALP-UNI-ed5cdfd2-4
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NAU-LAT-56d5284e-1
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KRI-MAR-d2e3ef86-12
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DAR-DIA-53551c05-17
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JAN-GHE-82a280f8-2
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NAU-LAT-56d5284e-4
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NAU-LAT-56d5284e-6
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ALP-UNI-ed5cdfd2-7
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KRI-MAR-d2e3ef86-15
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NAU-LAT-56d5284e-7
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DAR-DIA-8e329c92-5
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DAR-DIA-8e329c92-8
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ADA-UCB-b1b30a00-1
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BEN-DND-b89db3f2-5
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EDJ-MED-edeb0d3a-1
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MAT-POS-590ac91e-67
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MAT-POS-b5746674-110
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MAT-POS-590ac91e-66
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MAR-TRE-66ac689e-34
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NAU-LAT-a5c7d7cb-7
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ALP-UNI-ed5cdfd2-5
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MAT-POS-590ac91e-61
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DAR-DIA-8e329c92-7
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MAT-POS-590ac91e-62
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GIA-UNK-5ec6c2b8-3
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STE-KUL-2e0d2e88-7
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MAT-POS-54c4bf04-1
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DAR-DIA-8e329c92-9
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DAR-DIA-53551c05-15
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