General Information of the Compound
| Compound ID |
CP0467956
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| Compound Name |
N-(2,6-difluorophenyl)-4-[2-methyl-4-[[6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenoxy]piperidine-1-carboxamide
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| Structure |
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| Formula |
C34H38F2N6O4
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| Molecular Weight |
632.712
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| Canonical SMILES |
Cc1cc(Nc2ncnc3ccc(OCCCN4CCOCC4)cc23)ccc1OC1CCN(CC1)C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C34H38F2N6O4/c1-23-20-24(6-9-31(23)46-25-10-13-42(14-11-25)34(43)40-32-28(35)4-2-5-29(32)36)39-33-27-21-26(7-8-30(27)37-22-38-33)45-17-3-12-41-15-18-44-19-16-41/h2,4-9,20-22,25H,3,10-19H2,1H3,(H,40,43)(H,37,38,39)
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| InChIKey |
LJZIMCVKWDQQNE-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