General Information of the Compound
| Compound ID |
CP0418091
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| Compound Name |
US9212196, Derivative 5
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| Structure |
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| Formula |
C14H19N2O11P
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| Molecular Weight |
422.283
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| Canonical SMILES |
COc1cc(cc(c1OCC(O)=O)[N+]([O-])=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O
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| InChI |
InChI=1S/C14H19N2O11P/c1-26-10-5-7(4-9(16(22)23)12(10)27-6-11(17)18)14(21)28(24,25)3-2-8(15)13(19)20/h4-5,8,14,21H,2-3,6,15H2,1H3,(H,17,18)(H,19,20)(H,24,25)/t8-,14?/m1/s1
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| InChIKey |
OCWGTIQPGGIBEM-ZSYIFEHUSA-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: PT02445, Metabotropic glutamate receptor 6
Protein ID: PT03457, Metabotropic glutamate receptor 7
Protein ID: PT04980, Metabotropic glutamate receptor 8