General Information of the Compound
| Compound ID |
CP0861264
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| Compound Name |
4-(3-Chloro-2-fluoroanilino)-6-{[1-(N-isopropylcarbamoylmethyl)piperidin-4-yl]oxy}-7-methoxyquinazoline
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| Structure |
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| Formula |
C25H29ClFN5O3
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| Molecular Weight |
501.99
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(=O)NC(C)C)CC1
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| InChI |
InChI=1S/C25H29ClFN5O3/c1-15(2)30-23(33)13-32-9-7-16(8-10-32)35-22-11-17-20(12-21(22)34-3)28-14-29-25(17)31-19-6-4-5-18(26)24(19)27/h4-6,11-12,14-16H,7-10,13H2,1-3H3,(H,30,33)(H,28,29,31)
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| InChIKey |
UPBUXSLPEWKLAQ-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