COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174531
Chemical Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CSc1ccccn1)OC)C(=O)CC(C2)(C)C)c1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 602.11
Empirical Formula: C31H28ClN5O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.315
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 163
Number of rings: 5

     

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