COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957703
Chemical Name: 2-{[5-{[(4-chlorophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-nitrothiophen-2-yl)methylidene]propanehydrazide
Smiles: C=CCn1c(nnc1CNc1ccc(cc1)Cl)SC(C(=O)N/N=C/c1ccc(s1)[N+](=O)[O-])C

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Molecular Weight: 506.01
Empirical Formula: C20H20ClN7O3S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.164
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 183
Number of rings: 3

     

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