General Information of the Compound
| Compound ID |
CP0439664
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| Compound Name |
N-(2,6-difluorophenyl)-4-[4-[[6-(2-methoxyethoxy)quinazolin-4-yl]amino]-2-methylphenoxy]piperidine-1-carboxamide
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| Structure |
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| Formula |
C30H31F2N5O4
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| Molecular Weight |
563.605
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| Canonical SMILES |
COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2c1
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| InChI |
InChI=1S/C30H31F2N5O4/c1-19-16-20(35-29-23-17-22(40-15-14-39-2)7-8-26(23)33-18-34-29)6-9-27(19)41-21-10-12-37(13-11-21)30(38)36-28-24(31)4-3-5-25(28)32/h3-9,16-18,21H,10-15H2,1-2H3,(H,36,38)(H,33,34,35)
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| InChIKey |
FHMSATXRXOSDEN-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