General Information of the Compound
| Compound ID |
CP0435603
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| Compound Name |
4-(4-(6,7-bis(2-methoxyethoxy)quinazolin-4-ylamino)-2-methylphenoxy)-N-(2,6-difluorophenyl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C33H37F2N5O6
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| Molecular Weight |
637.684
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| Canonical SMILES |
COCCOc1cc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2cc1OCCOC
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| InChI |
InChI=1S/C33H37F2N5O6/c1-21-17-22(38-32-24-18-29(44-15-13-42-2)30(45-16-14-43-3)19-27(24)36-20-37-32)7-8-28(21)46-23-9-11-40(12-10-23)33(41)39-31-25(34)5-4-6-26(31)35/h4-8,17-20,23H,9-16H2,1-3H3,(H,39,41)(H,36,37,38)
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| InChIKey |
QKKNHIUIKMOSQI-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