General Information of the Compound
| Compound ID |
CP0372387
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| Compound Name |
1-((1H-indol-3-yl)methyl)-3-(4-chlorophenyl)piperidin-3-ol
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| Structure |
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| Formula |
C20H21ClN2O
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| Molecular Weight |
340.854
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| Canonical SMILES |
OC1(CCCN(Cc2c[nH]c3ccccc23)C1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H21ClN2O/c21-17-8-6-16(7-9-17)20(24)10-3-11-23(14-20)13-15-12-22-19-5-2-1-4-18(15)19/h1-2,4-9,12,22,24H,3,10-11,13-14H2
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| InChIKey |
UJDUEYVURZHWBC-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