General Information of the Compound
| Compound ID |
CP0438307
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| Compound Name |
(1R)-3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-1-phenylpropan-1-ol
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| Structure |
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| Formula |
C21H20F2N2O2
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| Molecular Weight |
370.399
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| Canonical SMILES |
O[C@H](CCN1CCc2onc(c2C1)-c1ccc(F)c(F)c1)c1ccccc1
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| InChI |
InChI=1S/C21H20F2N2O2/c22-17-7-6-15(12-18(17)23)21-16-13-25(11-9-20(16)27-24-21)10-8-19(26)14-4-2-1-3-5-14/h1-7,12,19,26H,8-11,13H2/t19-/m1/s1
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| InChIKey |
UOQWCQXOZFZJSX-LJQANCHMSA-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7