COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036836
Chemical Name: 2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1cc2C(=O)CC(Cc2nc1SCc1cc2OCOc2cc1Cl)(C)C

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Molecular Weight: 400.89
Empirical Formula: C20H17ClN2O3S

Physical State: Dry powder
Available Amount: 507 mg

Lipinsky:
logP: 5.153
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 4

     

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