General Information of the Compound
| Compound ID |
CP0087447
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
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| Structure |
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| Formula |
C24H21ClFN5O2
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| Molecular Weight |
465.916
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| Canonical SMILES |
Fc1ccc(Nc2c(cnc3ccc(NC(=O)C(=C)CN4CCOCC4)cc23)C#N)cc1Cl
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| InChI |
InChI=1S/C24H21ClFN5O2/c1-15(14-31-6-8-33-9-7-31)24(32)30-17-3-5-22-19(10-17)23(16(12-27)13-28-22)29-18-2-4-21(26)20(25)11-18/h2-5,10-11,13H,1,6-9,14H2,(H,28,29)(H,30,32)
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| InChIKey |
FZGMFMLMNGWHRX-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