General Information of the Compound
| Compound ID |
CP0906496
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| Compound Name |
N-(3-(6,7-dimethoxyquinolin-4-yloxy)phenyl)-4-(4-propionamidopiperidin-1-yl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C33H33F3N4O5
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| Molecular Weight |
622.644
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| Canonical SMILES |
CCC(=O)NC1CCN(c2ccc(C(=O)Nc3cccc(Oc4ccnc5cc(OC)c(OC)cc45)c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C33H33F3N4O5/c1-4-31(41)38-21-11-14-40(15-12-21)27-9-8-20(16-25(27)33(34,35)36)32(42)39-22-6-5-7-23(17-22)45-28-10-13-37-26-19-30(44-3)29(43-2)18-24(26)28/h5-10,13,16-19,21H,4,11-12,14-15H2,1-3H3,(H,38,41)(H,39,42)
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| InChIKey |
KSNAXCSPWJUZHG-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