General Information of the Compound
| Compound ID |
CP0397778
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| Compound Name |
(1R,2S,4S,5R,6R)-2-amino-4-[(5-amino-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 |
C10H13N5O4S
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| Molecular Weight |
299.312
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| Canonical SMILES |
Nc1nnc(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/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)/t2-,3-,4-,5-,10-/m0/s1
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| InChIKey |
PZICKINIOPPAGP-CWOZVJDESA-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