General Information of the Compound
| Compound ID |
CP0470586
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| Compound Name |
(3R,5S)-5-[[(2E)-2-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C19H19F4N3O3
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| Molecular Weight |
413.371
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| Canonical SMILES |
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2ccc(F)c(c2)C(F)(F)F)C1
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| InChI |
InChI=1S/C19H19F4N3O3/c20-16-3-1-12(6-15(16)19(21,22)23)17-4-2-14(29-17)10-26-25-8-11-5-13(18(27)28)9-24-7-11/h1-4,6,10-11,13,24-25H,5,7-9H2,(H,27,28)/b26-10+/t11-,13+/m0/s1
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| InChIKey |
BOHACMSHNXUOIQ-RZXYBMOSSA-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