COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK027190
Chemical Name: (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Smiles: C=CCNC(=S)N/N=C/c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC

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Molecular Weight: 402.48
Empirical Formula: C18H22N6O3S

Physical State: Dry powder
Available Amount: 258 mg

Lipinsky:
logP: 3.492
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 141
Number of rings: 2

     

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