COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK246123
Chemical Name: N-(3-acetylphenyl)-2-{[5-{2-[(2,3-dichlorophenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide
Smiles: C=CCn1c(nnc1CC(=O)Nc1cccc(c1Cl)Cl)SC(C(=O)Nc1cccc(c1)C(=O)C)CC

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Molecular Weight: 546.48
Empirical Formula: C25H25Cl2N5O3S

Physical State: Dry powder
Available Amount: 296 mg

Lipinsky:
logP: 5.244
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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