COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528732
Chemical Name: methylN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(2,4-dichlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate
Smiles: N#Cc1c(sc2c1CCCC2)NC(C(F)(F)F)(C(=O)OC)NC(=O)c1ccc(cc1Cl)Cl

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Molecular Weight: 506.33
Empirical Formula: C20H16Cl2F3N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.196
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 3

     

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