COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK739758
Chemical Name: methyl2-{[(2E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(cc1Cl)Cl)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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Molecular Weight: 435.33
Empirical Formula: C20H16Cl2N2O3S

Physical State: Dry powder
Available Amount: 291 mg

Lipinsky:
logP: 7.396
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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