General Information of the Compound
| Compound ID |
CP0396032
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| Compound Name |
N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C20H20ClN3O2
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| Molecular Weight |
369.852
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| Canonical SMILES |
Clc1cccc(c1)C1=NC[C@]2(CCC[C@@H](C2)NC(=O)c2ccccn2)O1
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| InChI |
InChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)/t16-,20+/m0/s1
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| InChIKey |
WULJJNIUCIHCRO-OXJNMPFZSA-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