COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171390
Chemical Name: 2-{[5-(1H-benzotriazol-1-ylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
Smiles: C=CCn1c(SCC(=O)N/N=C/c2cccc(c2)[N+](=O)[O-])nnc1Cn1nnc2c1cccc2

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Molecular Weight: 477.51
Empirical Formula: C21H19N9O3S

Physical State: Dry powder
Available Amount: 41 mg

Lipinsky:
logP: 4.617
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 174
Number of rings: 4

     

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