General Information of the Compound
| Compound ID |
CP0473076
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| Compound Name |
2-chloro-N-((4,4-difluoro-1-hydroxycycloheptyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide
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| Structure |
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| Formula |
C19H19ClF3N3O2
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| Molecular Weight |
413.827
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| Canonical SMILES |
OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCC(F)(F)CC1
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| InChI |
InChI=1S/C19H19ClF3N3O2/c20-15-3-2-12(16-24-9-13(21)10-25-16)8-14(15)17(27)26-11-18(28)4-1-5-19(22,23)7-6-18/h2-3,8-10,28H,1,4-7,11H2,(H,26,27)
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| InChIKey |
ZOQUSKSMFRGDQE-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