COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757816
Chemical Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2

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Molecular Weight: 499.59
Empirical Formula: C27H25N5O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.885
Rotatable bonds: 0
H-donors: 2
H-acceptors: 3
PSA: 167
Number of rings: 5

     

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