General Information of the Compound
| Compound ID |
CP0546233
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| Compound Name |
(2R)-2-[4-[3-chloro-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
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| Structure |
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| Formula |
C27H26ClN5O4
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| Molecular Weight |
519.989
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| Canonical SMILES |
C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c12)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C27H26ClN5O4/c1-17-6-8-20(15-29-17)37-23-9-7-19(14-21(23)28)32-26-25-22(30-16-31-26)4-3-5-24(25)36-18(2)27(34)33-10-12-35-13-11-33/h3-9,14-16,18H,10-13H2,1-2H3,(H,30,31,32)/t18-/m1/s1
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| InChIKey |
CTFGDXFXTZFJLD-GOSISDBHSA-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