COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757881
Chemical Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2)C#N

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Molecular Weight: 482.65
Empirical Formula: C29H30N4OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.146
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 122
Number of rings: 5

     

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