General Information of the Compound
| Compound ID |
CP0320272
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-8-yl]prop-2-enamide
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| Structure |
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| Formula |
C20H15ClFN5O2
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| Molecular Weight |
411.824
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3Oc4ccc(NC(=O)C=C)cc4CNc23)cc1Cl
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| InChI |
InChI=1S/C20H15ClFN5O2/c1-2-17(28)26-12-4-6-16-11(7-12)9-23-18-19(24-10-25-20(18)29-16)27-13-3-5-15(22)14(21)8-13/h2-8,10,23H,1,9H2,(H,26,28)(H,24,25,27)
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| InChIKey |
KNFFQVJLBXYTKR-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