General Information of the Compound
| Compound ID |
CP0514917
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| Compound Name |
N-[6-[[1-(difluoromethyl)piperidin-4-ylidene]-fluoromethyl]pyridin-2-yl]-2,4,6-trifluorobenzamide
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| Formula |
C19H15F6N3O
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| Molecular Weight |
415.337
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| Canonical SMILES |
FC(F)N1CCC(CC1)=C(F)c1cccc(NC(=O)c2c(F)cc(F)cc2F)n1
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| InChI |
InChI=1S/C19H15F6N3O/c20-11-8-12(21)16(13(22)9-11)18(29)27-15-3-1-2-14(26-15)17(23)10-4-6-28(7-5-10)19(24)25/h1-3,8-9,19H,4-7H2,(H,26,27,29)
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| InChIKey |
MADAKGCKOJJCCO-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