General Information of the Compound
| Compound ID |
CP0434139
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| Compound Name |
(2R,3S,4S,5R,6R)-5-fluoro-2-(hydroxymethyl)-6-[4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]triazol-1-yl]oxane-3,4-diol
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| Structure |
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| Formula |
C20H28FN5O5
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| Molecular Weight |
437.472
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2F)CC1
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| InChI |
InChI=1S/C20H28FN5O5/c1-30-15-5-3-2-4-14(15)25-8-6-24(7-9-25)10-13-11-26(23-22-13)20-17(21)19(29)18(28)16(12-27)31-20/h2-5,11,16-20,27-29H,6-10,12H2,1H3/t16-,17-,18-,19-,20-/m1/s1
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| InChIKey |
SSVIIFPCYYWMIA-LASHMREHSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor