COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK765577
Chemical Name: methyl2-{[(4-chlorophenyl)carbonyl]amino}-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCC(C2)C)NC(=O)c1ccc(cc1)Cl

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Molecular Weight: 485.91
Empirical Formula: C21H19ClF3N3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 8.502
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 3

     

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