General Information of the Compound
| Compound ID |
CP0948148
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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)ethanesulfonamide
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| Structure |
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| Formula |
C32H34F3N5O6S
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| Molecular Weight |
673.714
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| Canonical SMILES |
CCS(=O)(=O)NC1CCN(c2ccc(NC(=O)Nc3cccc(Oc4ccnc5cc(OC)c(OC)cc45)c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C32H34F3N5O6S/c1-4-47(42,43)39-20-11-14-40(15-12-20)27-9-8-22(17-25(27)32(33,34)35)38-31(41)37-21-6-5-7-23(16-21)46-28-10-13-36-26-19-30(45-3)29(44-2)18-24(26)28/h5-10,13,16-20,39H,4,11-12,14-15H2,1-3H3,(H2,37,38,41)
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| InChIKey |
GGHVZYLPAUGKNQ-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