General Information of the Compound
| Compound ID |
CP0377729
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| Compound Name |
(1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl)cyclopropanecarboxylic acid
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| Synonyms |
[3H]alpha-9'-xantheylmethyl-2-(carboxycyclopropyl)glycine
(1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(2,6-dioxo-3H-purin-9-yl)ethyl]cyclopropanecarboxylic
(1S,2S)-2-[(2S)-2-amino-3-(2,6-dioxo-3H-purin-9-yl)-1-hydroxy-1-oxopropan-2-yl]cyclopropane-1-carboxylic acid
AC1O44IH
AN-16504
CTK8F0257
GTVQXKHWYDSDNM-JRHNIRLTSA-N
LY341495
[3H]LY341495
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| Structure |
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| Formula |
C20H19NO5
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| Molecular Weight |
353.374
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| Canonical SMILES |
N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
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| InChI |
InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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| InChIKey |
VLZBRVJVCCNPRJ-KPHUOKFYSA-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3
Protein ID: PT01312, Metabotropic glutamate receptor 3
Protein ID: PT02446, Metabotropic glutamate receptor 4
Protein ID: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT02445, Metabotropic glutamate receptor 6
Protein ID: PT03457, Metabotropic glutamate receptor 7
Clinical Information about the Compound