COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192283
Chemical Name: (2E)-1-{3,5-bis[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
Smiles: [O-][N+](=O)c1cccc(c1)/C=C/C(=O)n1nc(nc1NCc1cccs1)NCc1cccs1

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Molecular Weight: 466.54
Empirical Formula: C21H18N6O3S2

Physical State: Dry powder
Available Amount: 294 mg

Lipinsky:
logP: 4.443
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 174
Number of rings: 4

     

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