General Information of the Compound
| Compound ID |
CP0959561
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| Compound Name |
(1R,2R,3R,4S,5R,6R)-2-Amino-3-[(4-fluoro-3-methyl-phenyl)-sulfanylmethyl]-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]-hexane-2,6-dicarboxylic Acid Hydrochloride
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| Structure |
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| Formula |
C18H20ClFN4O4S2
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| Molecular Weight |
474.967
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| Canonical SMILES |
Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F.Cl
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| InChI |
InChI=1S/C18H19FN4O4S2.ClH/c1-7-4-8(2-3-10(7)19)28-5-9-14(29-17-21-6-22-23-17)11-12(15(24)25)13(11)18(9,20)16(26)27;/h2-4,6,9,11-14H,5,20H2,1H3,(H,24,25)(H,26,27)(H,21,22,23);1H/t9-,11+,12+,13+,14-,18+;/m1./s1
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| InChIKey |
FTKNPFVVQTVKOG-WKHIZERTSA-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