General Information of the Compound
| Compound ID |
CP0906497
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| Compound Name |
1-Acetyl-N-(1-(4-(3-(3-((6,7-dimethoxyquinolin-4-yl)oxy)-phenyl)ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)-piperidine-4-carboxamide
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| Structure |
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| Formula |
C38H41F3N6O6
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| Molecular Weight |
734.776
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)C6CCN(C(C)=O)CC6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C38H41F3N6O6/c1-23(48)46-15-10-24(11-16-46)36(49)43-25-12-17-47(18-13-25)32-8-7-27(20-30(32)38(39,40)41)45-37(50)44-26-5-4-6-28(19-26)53-33-9-14-42-31-22-35(52-3)34(51-2)21-29(31)33/h4-9,14,19-22,24-25H,10-13,15-18H2,1-3H3,(H,43,49)(H2,44,45,50)
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| InChIKey |
KZXWHMTXVBPXBX-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