General Information of the Compound
| Compound ID |
CP0406565
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| Compound Name |
N-(2,6-difluorophenyl)-4-[4-[[6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]piperidine-1-carboxamide
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| Structure |
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| Formula |
C28H29F2N7O2
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| Molecular Weight |
533.583
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| Canonical SMILES |
CN(C)c1cc2c(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)ncnc2cn1
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| InChI |
InChI=1S/C28H29F2N7O2/c1-17-13-18(34-27-20-14-25(36(2)3)31-15-23(20)32-16-33-27)7-8-24(17)39-19-9-11-37(12-10-19)28(38)35-26-21(29)5-4-6-22(26)30/h4-8,13-16,19H,9-12H2,1-3H3,(H,35,38)(H,32,33,34)
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| InChIKey |
DIOFAGBPNISMJA-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