COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK205753
Chemical Name: 1-(4-benzylpiperazin-1-yl)-2-{[5-(3-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)N2CCN(CC2)Cc2ccccc2)nnc1c1ccc(c(c1)Cl)C

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Molecular Weight: 482.05
Empirical Formula: C25H28ClN5OS

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 6.028
Rotatable bonds: 6
H-donors: 0
H-acceptors: 1
PSA: 79
Number of rings: 4

     

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