General Information of the Compound
| Compound ID |
CP0569052
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| Compound Name |
2-[(2R)-2-hydroxy-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propoxy]benzonitrile
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| Formula |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1
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| InChI |
InChI=1S/C27H29N3O3/c1-32-24-12-10-21(11-13-24)25-7-3-4-8-26(25)30-16-14-29(15-17-30)19-23(31)20-33-27-9-5-2-6-22(27)18-28/h2-13,23,31H,14-17,19-20H2,1H3/t23-/m1/s1
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| InChIKey |
DQZAHERLIYHMBX-HSZRJFAPSA-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: PT00941, 5-hydroxytryptamine receptor 7