General Information of the Compound
| Compound ID |
CP0531565
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| Compound Name |
(2S)-1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-morpholin-4-ylpropan-2-ol
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| Structure |
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| Formula |
C22H24ClFN4O4
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| Molecular Weight |
462.909
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC[C@@H](O)CN1CCOCC1
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| InChI |
InChI=1S/C22H24ClFN4O4/c1-30-20-10-19-16(9-21(20)32-12-15(29)11-28-4-6-31-7-5-28)22(26-13-25-19)27-14-2-3-18(24)17(23)8-14/h2-3,8-10,13,15,29H,4-7,11-12H2,1H3,(H,25,26,27)/t15-/m0/s1
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| InChIKey |
COMSCFFBTPULJA-HNNXBMFYSA-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