General Information of the Compound
| Compound ID |
CP0957517
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({4-[(2,3,6-trifluorophenyl)carbonyl]morpholin-2-yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C27H21Cl2F3N4O4
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| Molecular Weight |
593.389
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(=O)c2c(F)ccc(F)c2F)CCO1
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| InChI |
InChI=1S/C27H21Cl2F3N4O4/c1-38-22-9-16-21(33-13-34-26(16)35-14-2-3-17(28)18(29)8-14)10-23(22)40-12-15-11-36(6-7-39-15)27(37)24-19(30)4-5-20(31)25(24)32/h2-5,8-10,13,15H,6-7,11-12H2,1H3,(H,33,34,35)
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| InChIKey |
VNKOLNHCWLKONF-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