COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007104
Chemical Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone
Smiles: COc1ccc2c(c1)C(C)CC(N2C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])(C)C

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Molecular Weight: 444.94
Empirical Formula: C22H21ClN2O4S

Physical State: Dry powder
Available Amount: 447 mg

Lipinsky:
logP: 6.447
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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