General Information of the Compound
| Compound ID |
CP0161087
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| Compound Name |
(3S,4aR,6S,8aR)-6-[[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
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| Synonyms |
LY 466195
LY-466195
LY466195
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| Structure |
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| Formula |
C16H24F2N2O4
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| Molecular Weight |
346.374
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| Canonical SMILES |
OC(=O)[C@@H]1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O
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| InChI |
InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13-/m0/s1
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| InChIKey |
OXQXJYQSWZFDBB-WJTVCTBASA-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
Protein ID: PT01518, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02754, Glutamate receptor ionotropic, kainate 2
Protein ID: PT03594, Glutamate receptor ionotropic, kainate 5
Clinical Information about the Compound