General Information of the Compound
| Compound ID |
CP0134581
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| Compound Name |
3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-oxazolidin-2-one
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| Structure |
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| Formula |
C28H28FN5O2
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| Molecular Weight |
485.563
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| Canonical SMILES |
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
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| InChI |
InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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| InChIKey |
VROFQJNNYWWTGM-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