General Information of the Compound
| Compound ID |
CP0186561
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| Compound Name |
(3-Chloro-4-fluoro-phenyl)-[6-(2-imidazol-1-yl-ethoxy)-7-methoxy-quinazolin-4-yl]-amine
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| Structure |
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| Formula |
C20H17ClFN5O2
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| Molecular Weight |
413.84
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1
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| InChI |
InChI=1S/C20H17ClFN5O2/c1-28-18-10-17-14(9-19(18)29-7-6-27-5-4-23-12-27)20(25-11-24-17)26-13-2-3-16(22)15(21)8-13/h2-5,8-12H,6-7H2,1H3,(H,24,25,26)
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| InChIKey |
XXBDUYQPZRPNMB-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