COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472603
Chemical Name: methyl2-{[(2E)-2-cyano-3-(quinoxalin-2-yl)prop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cnc2c(n1)cccc2)/C(=O)Nc1sc(cc1C(=O)OC)C(C)C

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Molecular Weight: 406.47
Empirical Formula: C21H18N4O3S

Physical State: Dry powder
Available Amount: 335 mg

Lipinsky:
logP: 5.213
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 133
Number of rings: 3

     

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