General Information of the Compound
| Compound ID |
CP0909701
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| Compound Name |
tert-Butyl 3-((1-(4-(3-(3-((6,7-Dimethoxyquinolin-4-yl)oxy)-phenyl)ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)-carbamoyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C41H47F3N6O7
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| Molecular Weight |
792.856
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)C6CCCN(C(=O)OC(C)(C)C)C6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C41H47F3N6O7/c1-40(2,3)57-39(53)50-17-7-8-25(24-50)37(51)46-26-14-18-49(19-15-26)33-12-11-28(21-31(33)41(42,43)44)48-38(52)47-27-9-6-10-29(20-27)56-34-13-16-45-32-23-36(55-5)35(54-4)22-30(32)34/h6,9-13,16,20-23,25-26H,7-8,14-15,17-19,24H2,1-5H3,(H,46,51)(H2,47,48,52)
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| InChIKey |
FTXCGMTZGVOART-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