COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085376
Chemical Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)[2,2,4-trimethyl-4-(4-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]methanone
Smiles: Cc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 505.04
Empirical Formula: C28H25ClN2O3S

Physical State: Dry powder
Available Amount: 332 mg

Lipinsky:
logP: 8.456
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 5

     

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