COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186680
Chemical Name: 3,4-dichloro-N-(2-{5-[(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Smiles: C=CCn1c(CCNC(=O)c2ccc(c(c2)Cl)Cl)nnc1SCC(=O)Nc1ccccc1C(C)C

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Molecular Weight: 532.49
Empirical Formula: C25H27Cl2N5O2S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 6.284
Rotatable bonds: 10
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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