COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757237
Chemical Name: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCC2)C#N

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Molecular Weight: 486.66
Empirical Formula: C27H26N4OS2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.172
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 147
Number of rings: 5

     

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