General Information of the Compound
| Compound ID |
CP0538626
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-hydroxypiperidine-1-carboxamide
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| Structure |
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| Formula |
C20H24F5N3O3
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| Molecular Weight |
449.42
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| Canonical SMILES |
OC1CCN(CC1)C(=O)N[C@@H]1CC[C@H](CN(CC(F)(F)F)C1=O)c1cccc(F)c1F
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| InChI |
InChI=1S/C20H24F5N3O3/c21-15-3-1-2-14(17(15)22)12-4-5-16(18(30)28(10-12)11-20(23,24)25)26-19(31)27-8-6-13(29)7-9-27/h1-3,12-13,16,29H,4-11H2,(H,26,31)/t12-,16-/m1/s1
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| InChIKey |
IUARSNIFGNVMMB-MLGOLLRUSA-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