COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757880
Chemical Name: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2)C#N

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Molecular Weight: 512.68
Empirical Formula: C30H32N4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.166
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 131
Number of rings: 5

     

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