COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286772
Chemical Name: (4-chloro-3-nitrophenyl){(7E)-7-[4-(dimethylamino)benzylidene]-3-[4-(dimethylamino)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone
Smiles: CN(c1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)N(C)C)C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C

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Molecular Weight: 558.08
Empirical Formula: C31H32ClN5O3

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 6.54
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 84
Number of rings: 5

     

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