General Information of the Compound
| Compound ID |
CP0906498
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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)-3-(1-methylpiperidin-2-yl)propanamide
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| Structure |
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| Formula |
C39H45F3N6O5
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| Molecular Weight |
734.82
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| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)CCC6CCCCN6C)CC5)c(C(F)(F)F)c4)c3)c2cc1OC
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| InChI |
InChI=1S/C39H45F3N6O5/c1-47-18-5-4-8-28(47)11-13-37(49)44-25-15-19-48(20-16-25)33-12-10-27(22-31(33)39(40,41)42)46-38(50)45-26-7-6-9-29(21-26)53-34-14-17-43-32-24-36(52-3)35(51-2)23-30(32)34/h6-7,9-10,12,14,17,21-25,28H,4-5,8,11,13,15-16,18-20H2,1-3H3,(H,44,49)(H2,45,46,50)
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| InChIKey |
UKEOYSKMDOWQBO-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