General Information of the Compound
| Compound ID |
CP0059160
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| Compound Name |
(E)-4-Morpholin-4-yl-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide
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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/c25-20-13-18(3-5-21(20)26)30-24-16(14-27)15-28-22-6-4-17(12-19(22)24)29-23(32)2-1-7-31-8-10-33-11-9-31/h1-6,12-13,15H,7-11H2,(H,28,30)(H,29,32)/b2-1+
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| InChIKey |
USKFPOBBUSZDCR-OWOJBTEDSA-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