COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL112568
Chemical Name: (2Z)-2-{[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}-3-(4-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)[N+](=O)[O-])/C(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1

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Molecular Weight: 488.55
Empirical Formula: C30H24N4O3

Physical State: Dry powder
Available Amount: 71 mg

Lipinsky:
logP: 5.922
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 5

     

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