COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK059945
Chemical Name: 2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2cc3OCOc3cc2Cl)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C

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Molecular Weight: 485.03
Empirical Formula: C24H21ClN2O3S2

Physical State: Dry powder
Available Amount: 157 mg

Lipinsky:
logP: 5.128
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 124
Number of rings: 5

     

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