General Information of the Compound
| Compound ID |
CP0281174
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-7-(4-morpholin-4-ylbutyl)pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C24H26ClFN6O2
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| Molecular Weight |
484.963
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3cc(CCCCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl
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| InChI |
InChI=1S/C24H26ClFN6O2/c1-2-21(33)30-23-16(5-3-4-8-32-9-11-34-12-10-32)13-20-22(31-23)24(28-15-27-20)29-17-6-7-19(26)18(25)14-17/h2,6-7,13-15H,1,3-5,8-12H2,(H,27,28,29)(H,30,31,33)
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| InChIKey |
VHRIFFSWPSMYNR-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