General Information of the Compound
| Compound ID |
CP0148502
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| Compound Name |
4-[[4-[[4-[(3R)-oxolan-3-yl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
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| Synonyms |
(R)-4-((4-(((4-(Tetrahydrofuran-3-yloxy)-1,2-benzisoxazol-3-yl)oxy)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-ol
1331782-27-4
4-[[4-[[4-[(3R)-oxolan-3-yl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
BDBM50398598
CHEMBL2152922
DB12675
GTPL9059
NCGC00386746-01
PF 04995274
PF-04995274
PF-04995274, >
PF04995274
SCHEMBL619629
UNII-XI179PG9LV
WLLOFQROROXOMO-GOSISDBHSA-N
XI179PG9LV
ZINC95577747
compound 2d [PMID: 22974325]
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| Structure |
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| Formula |
C23H32N2O6
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| Molecular Weight |
432.517
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| Canonical SMILES |
OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
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| InChI |
InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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| InChIKey |
WLLOFQROROXOMO-GOSISDBHSA-N
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| CAS |
1331782-27-4
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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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Protein ID: PT01897, 5-hydroxytryptamine receptor 4
Clinical Information about the Compound