COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885876
Chemical Name: methyl2-{[({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C

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Molecular Weight: 515.63
Empirical Formula: C29H29N3O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.281
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 133
Number of rings: 4

     

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