General Information of the Compound
| Compound ID |
CP0468741
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C31H24ClF3N4O4S
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| Molecular Weight |
641.071
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C31H24ClF3N4O4S/c32-27-9-6-21(16-26(27)31(33,34)35)30(40)38-14-11-23(12-15-38)39-19-37-18-28(39)20-4-7-24(8-5-20)43-44(41,42)29-3-1-2-22-17-36-13-10-25(22)29/h1-10,13,16-19,23H,11-12,14-15H2
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| InChIKey |
GDXSENVZZJUFPH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound