General Information of the Compound
| Compound ID |
CP0568806
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| Compound Name |
[1-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]indol-5-yl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C30H23ClF3N3O4S
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| Molecular Weight |
614.045
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1ccc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc12
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| InChI |
InChI=1S/C30H23ClF3N3O4S/c31-26-6-4-20(17-25(26)30(32,33)34)29(38)36-13-10-22(11-14-36)37-15-9-19-16-23(5-7-27(19)37)41-42(39,40)28-3-1-2-21-18-35-12-8-24(21)28/h1-9,12,15-18,22H,10-11,13-14H2
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| InChIKey |
NMLSIYIDVYHJMB-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