General Information of the Compound
| Compound ID |
CP0397777
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| Compound Name |
(1R,2S,4S,5R,6R)-2-amino-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C11H14N4O4S
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| Molecular Weight |
298.324
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| Canonical SMILES |
Cc1nnc(S[C@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
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| InChI |
InChI=1S/C11H14N4O4S/c1-3-13-10(15-14-3)20-4-2-11(12,9(18)19)7-5(4)6(7)8(16)17/h4-7H,2,12H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)/t4-,5-,6-,7-,11-/m0/s1
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| InChIKey |
ZBBCOPQWFRZNNR-QIMCWZKGSA-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: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT01312, Metabotropic glutamate receptor 3