COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK686636
Chemical Name: 2-amino-4-[4-(1H-benzimidazol-1-ylmethyl)thiophen-2-yl]-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1scc(c1)Cn1cnc2c1cccc2)N

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Molecular Weight: 535.67
Empirical Formula: C31H29N5O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.334
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 125
Number of rings: 6

     

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