General Information of the Compound
| Compound ID |
CP0396034
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| Compound Name |
N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]-6-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C21H22ClN3O2
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| Molecular Weight |
383.879
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| Canonical SMILES |
Cc1cccc(n1)C(=O)N[C@H]1CCC[C@]2(CN=C(O2)c2cccc(Cl)c2)C1
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| InChI |
InChI=1S/C21H22ClN3O2/c1-14-5-2-9-18(24-14)19(26)25-17-8-4-10-21(12-17)13-23-20(27-21)15-6-3-7-16(22)11-15/h2-3,5-7,9,11,17H,4,8,10,12-13H2,1H3,(H,25,26)/t17-,21+/m0/s1
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| InChIKey |
JUFSRROJKRHALC-LAUBAEHRSA-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5