COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL137011
Chemical Name: 2,4-dichloro-N-{1-[5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1C(NC(=O)c1ccc(cc1Cl)Cl)C

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Molecular Weight: 549.44
Empirical Formula: C23H22Cl2N6O4S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 5.665
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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