General Information of the Compound
| Compound ID |
CP0423153
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| Compound Name |
(2R,3S,4S,5R)-5-fluoro-2-(hydroxymethyl)-6-[3-[4-[4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]triazol-1-yl]phenoxy]propoxy]oxane-3,4-diol
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| Structure |
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| Formula |
C29H38FN5O7
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| Molecular Weight |
587.649
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccc(OCCCOC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)cc2)CC1
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| InChI |
InChI=1S/C29H38FN5O7/c1-39-24-6-3-2-5-23(24)34-13-11-33(12-14-34)17-20-18-35(32-31-20)21-7-9-22(10-8-21)40-15-4-16-41-29-26(30)28(38)27(37)25(19-36)42-29/h2-3,5-10,18,25-29,36-38H,4,11-17,19H2,1H3/t25-,26-,27-,28-,29?/m1/s1
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| InChIKey |
UYUTUOIZGIGQQA-VIVFLBMVSA-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