COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087330
Chemical Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)(7-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)methanone
Smiles: COc1ccc2c(c1)N(C(=O)c1sc3c(c1Cl)ccc(c3)[N+](=O)[O-])C(C=C2C)(C)C

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Molecular Weight: 442.92
Empirical Formula: C22H19ClN2O4S

Physical State: Dry powder
Available Amount: 477 mg

Lipinsky:
logP: 6.338
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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