COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK303775
Chemical Name: methyl(2E)-2-cyano-3-{4-methoxy-3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]phenyl}prop-2-enoate
Smiles: N#C/C(=C\c1ccc(c(c1)Cn1cnc(n1)[N+](=O)[O-])OC)/C(=O)OC

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Molecular Weight: 343.3
Empirical Formula: C15H13N5O5

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 0.61
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 135
Number of rings: 2

     

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