General Information of the Compound
| Compound ID |
CP0435598
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| Compound Name |
N-(2,6-difluorophenyl)-4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidine-1-carboxamide
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| Structure |
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| Formula |
C29H29F2N5O4
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| Molecular Weight |
549.578
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2cc1OC
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| InChI |
InChI=1S/C29H29F2N5O4/c1-17-13-18(34-28-20-14-25(38-2)26(39-3)15-23(20)32-16-33-28)7-8-24(17)40-19-9-11-36(12-10-19)29(37)35-27-21(30)5-4-6-22(27)31/h4-8,13-16,19H,9-12H2,1-3H3,(H,35,37)(H,32,33,34)
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| InChIKey |
BIBALVWNPOYBTN-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