General Information of the Compound
| Compound ID |
CP0869468
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[({4-[(2,5-difluorophenyl)carbonyl]morpholin-2-yl}methyl)oxy]-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C27H22Cl2F2N4O4
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| Molecular Weight |
575.399
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(=O)c2cc(F)ccc2F)CCO1
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| InChI |
InChI=1S/C27H22Cl2F2N4O4/c1-37-24-10-19-23(32-14-33-26(19)34-16-3-4-20(28)21(29)9-16)11-25(24)39-13-17-12-35(6-7-38-17)27(36)18-8-15(30)2-5-22(18)31/h2-5,8-11,14,17H,6-7,12-13H2,1H3,(H,32,33,34)
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| InChIKey |
QPCXTIGWORLPNS-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