General Information of the Compound
| Compound ID |
CP0214632
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| Compound Name |
(2,6-difluoro-3-methoxyphenyl)-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone
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| Structure |
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| Formula |
C22H18F4N2O3
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| Molecular Weight |
434.389
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| Canonical SMILES |
COc1ccc(F)c(C(=O)N2CCC(F)(F)[C@H](C2)Oc2ccc3ccccc3n2)c1F
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| InChI |
InChI=1S/C22H18F4N2O3/c1-30-16-8-7-14(23)19(20(16)24)21(29)28-11-10-22(25,26)17(12-28)31-18-9-6-13-4-2-3-5-15(13)27-18/h2-9,17H,10-12H2,1H3/t17-/m0/s1
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| InChIKey |
YYBYVQOKVCZREF-KRWDZBQOSA-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