COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK452741
Chemical Name: methyl2-{[(2E)-3-(4-chlorophenyl)prop-2-enoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)/C=C/c1ccc(cc1)Cl

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Molecular Weight: 403.93
Empirical Formula: C21H22ClNO3S

Physical State: Dry powder
Available Amount: 840 mg

Lipinsky:
logP: 8.377
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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