General Information of the Compound
| Compound ID |
CP0467957
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| Compound Name |
1-(4-(4-(6,7-bis(2-methoxyethoxy)quinazolin-4-ylamino)-2-methylphenoxy)piperidin-1-yl)-3,3-dimethylbutan-1-one
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| Structure |
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| Formula |
C32H44N4O6
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| Molecular Weight |
580.726
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| Canonical SMILES |
COCCOc1cc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2cc1OCCOC
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| InChI |
InChI=1S/C32H44N4O6/c1-22-17-23(7-8-27(22)42-24-9-11-36(12-10-24)30(37)20-32(2,3)4)35-31-25-18-28(40-15-13-38-5)29(41-16-14-39-6)19-26(25)33-21-34-31/h7-8,17-19,21,24H,9-16,20H2,1-6H3,(H,33,34,35)
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| InChIKey |
XLHJINLRMFESGF-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