COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK139227
Chemical Name: 3,4-dimethoxy-N-{[5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1CNC(=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 536.66
Empirical Formula: C27H32N6O4S

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 2.885
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 127
Number of rings: 4

     

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