COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807072
Chemical Name: (2E)-1-[2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazol-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Smiles: C=CCSc1nc2c(n1C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC)cccc2

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Molecular Weight: 410.49
Empirical Formula: C22H22N2O4S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 5.492
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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