General Information of the Compound
| Compound ID |
CP0560043
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| Compound Name |
4-[6-[[(E)-4-(dimethylamino)but-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C27H25N5O3
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| Molecular Weight |
467.529
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| Canonical SMILES |
CN(C)C\C=C\C(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
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| InChI |
InChI=1S/C27H25N5O3/c1-32(2)17-5-7-26(33)30-20-10-13-23-22(18-20)24(14-16-28-23)35-21-11-8-19(9-12-21)27(34)31-25-6-3-4-15-29-25/h3-16,18H,17H2,1-2H3,(H,30,33)(H,29,31,34)/b7-5+
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| InChIKey |
PEBORLYUHFFQJJ-FNORWQNLSA-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