COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286829
Chemical Name: 4-{[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzenesulfonicacid
Smiles: O=C(N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)c1ccc(cc1)S(=O)(=O)O

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Molecular Weight: 472.56
Empirical Formula: C27H24N2O4S

Physical State: Dry powder
Available Amount: 41 mg

Lipinsky:
logP: 4.161
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 5

     

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