General Information of the Compound
| Compound ID |
CP0464320
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| Compound Name |
1-((1H-indol-3-yl)methyl)-4-(4-hydroxyphenyl)piperidin-4-ol
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
Oc1ccc(cc1)C1(O)CCN(Cc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C20H22N2O2/c23-17-7-5-16(6-8-17)20(24)9-11-22(12-10-20)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21,23-24H,9-12,14H2
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| InChIKey |
RLEVEXRYULMVDM-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor