COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889247
Chemical Name: (2E)-1-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-5-methyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(furan-2-yl)prop-2-en-1-one
Smiles: CC1C/C(=C\c2ccc(cc2)Cl)/C2=NN(C(C2C1)c1ccc(cc1)Cl)C(=O)/C=C/c1ccco1

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Molecular Weight: 491.42
Empirical Formula: C28H24Cl2N2O2

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 7.671
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 45
Number of rings: 5

     

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