General Information of the Compound
| Compound ID |
CP0442809
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| Compound Name |
US9212196, Derivative 9
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| Structure |
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| Formula |
C13H16Cl2NO8P
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| Molecular Weight |
416.15
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| Canonical SMILES |
N[C@H](CCP(O)(=O)C(O)c1cc(Cl)c(OCC(O)=O)c(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C13H16Cl2NO8P/c14-7-3-6(4-8(15)11(7)24-5-10(17)18)13(21)25(22,23)2-1-9(16)12(19)20/h3-4,9,13,21H,1-2,5,16H2,(H,17,18)(H,19,20)(H,22,23)/t9-,13?/m1/s1
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| InChIKey |
ACWNTECWAQAJID-CGCSKFHYSA-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