General Information of the Compound
| Compound ID |
CP0036405
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C23H24ClFN6O3
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| Molecular Weight |
486.935
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl
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| InChI |
InChI=1S/C23H24ClFN6O3/c1-2-20(32)29-22-19(34-9-3-6-31-7-10-33-11-8-31)13-18-21(30-22)23(27-14-26-18)28-15-4-5-17(25)16(24)12-15/h2,4-5,12-14H,1,3,6-11H2,(H,26,27,28)(H,29,30,32)
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| InChIKey |
WUTKDVWWIGSHGA-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