COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK046876
Chemical Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone
Smiles: O=C(N1c2ccccc2C(CC1(C)C)C)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 414.91
Empirical Formula: C21H19ClN2O3S

Physical State: Dry powder
Available Amount: 372 mg

Lipinsky:
logP: 6.631
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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