General Information of the Compound
| Compound ID |
CP0878925
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| Compound Name |
N-(1-(4-(3-(3-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
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| Structure |
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| Formula |
C38H43F3N6O5
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| Molecular Weight |
720.793
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)CN6CCCC(C)C6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C38H43F3N6O5/c1-24-6-5-15-46(22-24)23-36(48)43-25-12-16-47(17-13-25)32-10-9-27(19-30(32)38(39,40)41)45-37(49)44-26-7-4-8-28(18-26)52-33-11-14-42-31-21-35(51-3)34(50-2)20-29(31)33/h4,7-11,14,18-21,24-25H,5-6,12-13,15-17,22-23H2,1-3H3,(H,43,48)(H2,44,45,49)
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| InChIKey |
KVVSQZBMLQVLKY-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