General Information of the Compound
| Compound ID |
CP0919396
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| Compound Name |
1-((5-Methoxy-1H-indol-3-yl)methyl)-4-phenylpiperidin-4-ol oxalate
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| Structure |
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| Formula |
C23H26N2O6
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| Molecular Weight |
426.469
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| Canonical SMILES |
COc1ccc2[nH]cc(CN3CCC(O)(c4ccccc4)CC3)c2c1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C21H24N2O2.C2H2O4/c1-25-18-7-8-20-19(13-18)16(14-22-20)15-23-11-9-21(24,10-12-23)17-5-3-2-4-6-17;3-1(4)2(5)6/h2-8,13-14,22,24H,9-12,15H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
DIKGPWVGRRHAKZ-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