General Information of the Compound
| Compound ID |
CP0169499
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| Compound Name |
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-methylpropanamide
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| Structure |
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| Formula |
C24H22ClN5O3
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| Molecular Weight |
463.925
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| Canonical SMILES |
CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
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| InChI |
InChI=1S/C24H22ClN5O3/c1-15(24(31)26-2)33-21-8-5-7-19-22(21)23(29-14-28-19)30-16-9-10-20(18(25)12-16)32-13-17-6-3-4-11-27-17/h3-12,14-15H,13H2,1-2H3,(H,26,31)(H,28,29,30)/t15-/m1/s1
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| InChIKey |
QCTACFWJSRSNOJ-OAHLLOKOSA-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