General Information of the Compound
| Compound ID |
CP0475231
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| Compound Name |
US9212196, Derivative 24
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| Structure |
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| Formula |
C13H17N2O10P
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| Molecular Weight |
392.257
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| Canonical SMILES |
N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C13H17N2O10P/c14-8(12(18)19)3-4-26(23,24)13(20)7-1-2-10(25-6-11(16)17)9(5-7)15(21)22/h1-2,5,8,13,20H,3-4,6,14H2,(H,16,17)(H,18,19)(H,23,24)/t8-,13?/m1/s1
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| InChIKey |
UFAMDVHATQKVBA-UOGPZTOASA-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: PT02446, Metabotropic glutamate receptor 4
Protein ID: PT03457, Metabotropic glutamate receptor 7
Protein ID: PT04980, Metabotropic glutamate receptor 8