General Information of the Compound
| Compound ID |
CP0372705
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| Compound Name |
(2R)-N-(2-hydroxyethyl)-2-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-5-yl]oxypropanamide
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| Structure |
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| Formula |
C26H27N5O4
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| Molecular Weight |
473.533
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| Canonical SMILES |
C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)NCCO
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| InChI |
InChI=1S/C26H27N5O4/c1-16-13-19(8-10-22(16)35-20-9-7-17(2)28-14-20)31-25-24-21(29-15-30-25)5-4-6-23(24)34-18(3)26(33)27-11-12-32/h4-10,13-15,18,32H,11-12H2,1-3H3,(H,27,33)(H,29,30,31)/t18-/m1/s1
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| InChIKey |
GOIYYHUARAVZLL-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