COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK222122
Chemical Name: N-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Smiles: C=CCn1c(nnc1c1ccc(cc1)Cl)SC(C(=O)Nc1ccc2c(c1)OCO2)C

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Molecular Weight: 442.93
Empirical Formula: C21H19ClN4O3S

Physical State: Dry powder
Available Amount: 139 mg

Lipinsky:
logP: 6.015
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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