Molecular Properties | |
SMILES: | Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C |
MW: | 453.564 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.55 |
cLogP: | 2.90848 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____413354____59160 |
Mcule: | MCULE-7557874602 |
MolPort: | MolPort-005-507-857 |
Activity Data | |
IC50 (µM) - Fluorescence: | 8.46609805896594 |
IC50 (µM) - RapidFire: | 3.75065325893466 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-17 |
Hetero_hetero
poly_sub_atomatic
MAT-POS-916a2c5a-3
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ADA-UCB-b1b30a00-1
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