General Information of the Compound
| Compound ID |
CP0080978
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| Compound Name |
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
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| Structure |
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| Formula |
C27H26ClFN4O2
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| Molecular Weight |
492.982
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| Canonical SMILES |
CN1CCC(CC1)Oc1cccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12
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| InChI |
InChI=1S/C27H26ClFN4O2/c1-33-12-10-21(11-13-33)35-25-7-3-6-23-26(25)27(31-17-30-23)32-20-8-9-24(22(28)15-20)34-16-18-4-2-5-19(29)14-18/h2-9,14-15,17,21H,10-13,16H2,1H3,(H,30,31,32)
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| InChIKey |
VQXONFAAUSCWAP-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