COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245833
Chemical Name: 4-chloro-N-{2-[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Smiles: C=CCn1c(CCNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)c1ccc(cc1)Cl

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Molecular Weight: 475.4
Empirical Formula: C22H20Cl2N4O2S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 5.382
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 102
Number of rings: 3

     

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