General Information of the Compound
| Compound ID |
CP0281175
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-7-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C24H27ClFN7O2
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| Molecular Weight |
499.978
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| Canonical SMILES |
CN1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3nc2NC(=O)C=C)CC1
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| InChI |
InChI=1S/C24H27ClFN7O2/c1-3-21(34)30-23-20(35-12-4-7-33-10-8-32(2)9-11-33)14-19-22(31-23)24(28-15-27-19)29-16-5-6-18(26)17(25)13-16/h3,5-6,13-15H,1,4,7-12H2,2H3,(H,27,28,29)(H,30,31,34)
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| InChIKey |
FNDAEXWGUUPCOX-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