COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889232
Chemical Name: 2-{[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}-6-nitrobenzoicacid
Smiles: O=C(c1cccc(c1C(=O)O)[N+](=O)[O-])N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1

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Molecular Weight: 481.51
Empirical Formula: C28H23N3O5

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 4.427
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 5

     

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