General Information of the Compound
| Compound ID |
CP0475288
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| Compound Name |
[2-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazol-5-yl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C29H22ClF3N4O4S
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| Molecular Weight |
615.033
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1
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| InChI |
InChI=1S/C29H22ClF3N4O4S/c30-23-6-4-18(14-22(23)29(31,32)33)28(38)37-12-9-17(10-13-37)27-35-24-7-5-20(15-25(24)36-27)41-42(39,40)26-3-1-2-19-16-34-11-8-21(19)26/h1-8,11,14-17H,9-10,12-13H2,(H,35,36)
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| InChIKey |
BDFYIJKOEIMRIR-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