COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016894
Chemical Name: methyl3-[(4-cyanophenyl)carbamoyl]-5-nitrobenzoate
Smiles: N#Cc1ccc(cc1)NC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-]

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Molecular Weight: 325.28
Empirical Formula: C16H11N3O5

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 2.606
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 2

     

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