General Information of the Compound
| Compound ID |
CP0406562
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| Compound Name |
N-(2,6-difluorophenyl)-4-[4-[[6-[3-[(2-methoxyacetyl)amino]prop-1-ynyl]quinazolin-4-yl]amino]-2-methylphenoxy]piperidine-1-carboxamide
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| Structure |
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| Formula |
C33H32F2N6O4
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| Molecular Weight |
614.653
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| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2c1
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| InChI |
InChI=1S/C33H32F2N6O4/c1-21-17-23(39-32-25-18-22(8-10-28(25)37-20-38-32)5-4-14-36-30(42)19-44-2)9-11-29(21)45-24-12-15-41(16-13-24)33(43)40-31-26(34)6-3-7-27(31)35/h3,6-11,17-18,20,24H,12-16,19H2,1-2H3,(H,36,42)(H,40,43)(H,37,38,39)
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| InChIKey |
RCKIDWKUGKLLRU-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