General Information of the Compound
| Compound ID |
CP0267173
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| Compound Name |
3-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetrazol-5-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-oxazolidin-2-one
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| Structure |
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| Formula |
C26H28FN7O2
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| Molecular Weight |
489.555
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| Canonical SMILES |
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H28FN7O2/c1-31-29-25(28-30-31)19-2-7-24-22(16-19)23(17-34(24)21-5-3-20(27)4-6-21)18-8-10-32(11-9-18)12-13-33-14-15-36-26(33)35/h2-7,16-18H,8-15H2,1H3
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| InChIKey |
SPHRCFFKJXRWLW-UHFFFAOYSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT02060, Alpha-1A adrenergic receptor
Protein ID: PT02075, Alpha-1D adrenergic receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor