General Information of the Compound
| Compound ID |
CP0077867
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| Compound Name |
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
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| Structure |
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| Formula |
C26H26ClN5O2
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| Molecular Weight |
475.98
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| Canonical SMILES |
CN1CCC(CC1)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
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| InChI |
InChI=1S/C26H26ClN5O2/c1-32-13-10-20(11-14-32)34-24-7-4-6-22-25(24)26(30-17-29-22)31-18-8-9-23(21(27)15-18)33-16-19-5-2-3-12-28-19/h2-9,12,15,17,20H,10-11,13-14,16H2,1H3,(H,29,30,31)
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| InChIKey |
MKNGJNHUZSCTJU-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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Table of Molecular Bioactivities Related to the Compound