General Information of the Compound
| Compound ID |
CP0406564
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| Compound Name |
4-(4-(6,7-dimethoxyquinazolin-4-ylamino)-2-methylphenoxy)-N-neopentylbenzamide
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| Structure |
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| Formula |
C29H32N4O4
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| Molecular Weight |
500.599
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)c2cc1OC
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| InChI |
InChI=1S/C29H32N4O4/c1-18-13-20(33-27-22-14-25(35-5)26(36-6)15-23(22)31-17-32-27)9-12-24(18)37-21-10-7-19(8-11-21)28(34)30-16-29(2,3)4/h7-15,17H,16H2,1-6H3,(H,30,34)(H,31,32,33)
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| InChIKey |
GPDZPPBNVFQOCS-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