General Information of the Compound
| Compound ID |
CP0418090
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| Compound Name |
US9212196, Derivative 33
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| Structure |
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| Formula |
C14H17F3NO7P
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| Molecular Weight |
399.258
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| Canonical SMILES |
N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)c(c1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C14H17F3NO7P/c15-14(16,17)9-5-8(1-2-11(9)25-6-12(19)20)7-26(23,24)4-3-10(18)13(21)22/h1-2,5,10H,3-4,6-7,18H2,(H,19,20)(H,21,22)(H,23,24)/t10-/m1/s1
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| InChIKey |
DLGOTKZKHHEVES-SNVBAGLBSA-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: PT04980, Metabotropic glutamate receptor 8