General Information of the Compound
| Compound ID |
CP0433104
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| Compound Name |
(2R)-N-(2-methoxyethyl)-N-methyl-2-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-5-yl]oxypropanamide
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| Structure |
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| Formula |
C28H31N5O4
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| Molecular Weight |
501.587
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| Canonical SMILES |
COCCN(C)C(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12
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| InChI |
InChI=1S/C28H31N5O4/c1-18-15-21(10-12-24(18)37-22-11-9-19(2)29-16-22)32-27-26-23(30-17-31-27)7-6-8-25(26)36-20(3)28(34)33(4)13-14-35-5/h6-12,15-17,20H,13-14H2,1-5H3,(H,30,31,32)/t20-/m1/s1
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| InChIKey |
SNIBNOLMGURVKM-HXUWFJFHSA-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