COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL175913
Chemical Name: diethyl1-{2-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Smiles: CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCC/C/2=C\c1ccc(cc1)Cl

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Molecular Weight: 610.5
Empirical Formula: C30H29Cl2N5O5

Physical State: Dry powder
Available Amount: 27 mg

Lipinsky:
logP: 4.896
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 115
Number of rings: 5

     

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