General Information of the Compound
| Compound ID |
CP0248318
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| Compound Name |
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea
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| Structure |
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| Formula |
C28H24N4O4
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| Molecular Weight |
480.524
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| Canonical SMILES |
COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc5ccccc5c4)c(C)c3)c2cc1OC
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| InChI |
InChI=1S/C28H24N4O4/c1-17-12-21(36-27-22-14-25(34-2)26(35-3)15-24(22)29-16-30-27)10-11-23(17)32-28(33)31-20-9-8-18-6-4-5-7-19(18)13-20/h4-16H,1-3H3,(H2,31,32,33)
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| InChIKey |
OORYJASUHYXOOK-UHFFFAOYSA-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