COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013741
Chemical Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)(2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1(2H)-yl)methanone
Smiles: O=C(N1c2cc(C)c(cc2C(CC1(C)C)C)C)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 442.97
Empirical Formula: C23H23ClN2O3S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 7.551
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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