General Information of the Compound
| Compound ID |
CP0374119
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C27H27F5N4O4
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| Molecular Weight |
566.527
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| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ccccc43)C(=O)N(CC(F)(F)F)C2)c1F
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| InChI |
InChI=1S/C27H27F5N4O4/c28-19-6-3-4-17(22(19)29)16-8-9-21(23(37)36(14-16)15-27(30,31)32)33-24(38)35-12-10-26(11-13-35)18-5-1-2-7-20(18)34-25(39)40-26/h1-7,16,21H,8-15H2,(H,33,38)(H,34,39)/t16-,21-/m1/s1
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| InChIKey |
JBIBSZVZIAZPBO-IIBYNOLFSA-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