General Information of the Compound
| Compound ID |
CP0276317
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C24H25F5N2O2
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| Molecular Weight |
468.466
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(=C)C(F)(F)F
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| InChI |
InChI=1S/C24H25F5N2O2/c1-14(24(27,28)29)17-4-3-5-18(11-17)23(6-7-23)30-13-22(33)21(31-15(2)32)10-16-8-19(25)12-20(26)9-16/h3-5,8-9,11-12,21-22,30,33H,1,6-7,10,13H2,2H3,(H,31,32)/t21-,22+/m0/s1
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| InChIKey |
PMWZKFRZXLTHEJ-FCHUYYIVSA-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