COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL365580
Chemical Name: 2-[(3,4-dichlorophenyl)amino]-2-oxoethyl4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzoate
Smiles: N#C/C(=C\c1ccc(cc1)C(=O)OCC(=O)Nc1ccc(c(c1)Cl)Cl)/c1nc2c([nH]1)cccc2

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Molecular Weight: 491.33
Empirical Formula: C25H16Cl2N4O3

Physical State: Dry powder
Available Amount: 211 mg

Lipinsky:
logP: 6.507
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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