COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334458
Chemical Name: 3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)NC1=C(C(=O)c2c(C1=O)cccc2)n1nnc2c1cccc2

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Molecular Weight: 531.48
Empirical Formula: C29H17N5O6

Physical State: Dry powder
Available Amount: 278 mg

Lipinsky:
logP: 5.18
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 149
Number of rings: 6

     

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