General Information of the Compound
| Compound ID |
CP0548666
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| Compound Name |
(6S)-6-benzyl-2-[(3-chlorophenyl)methoxy]-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
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| Structure |
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| Formula |
C21H19ClN2O3
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| Molecular Weight |
382.847
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| Canonical SMILES |
Clc1cccc(COc2cc(=O)n3[C@@H](Cc4ccccc4)COCc3n2)c1
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| InChI |
InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m0/s1
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| InChIKey |
QUBUQCRKGCPSRB-SFHVURJKSA-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: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT00854, Metabotropic glutamate receptor 5