COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK089393
Chemical Name: (2-chlorophenyl){(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)c1ccccc1Cl)C

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Molecular Weight: 513.08
Empirical Formula: C31H33ClN4O

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 6.246
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 39
Number of rings: 5

     

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