General Information of the Compound
| Compound ID |
CP0041232
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| Compound Name |
1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperidin-4-ol
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| Synonyms |
3-(4-(4-Chlorophenyl-4-hydroxypiperidino)methyl)indole
4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol
4-(4-chlorophenyl)-1-(1h-indol-3-ylmethyl)piperidin-4-ol
4-Piperidinol, 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)-
81226-60-0
AC1L335F
AC1Q3NO6
BPBio1_001094
Biomol-NT_000036
C20H21ClN2O
CHEBI:92090
CHEMBL445102
CTK3I9542
DTXSID30230974
GTPL177
L 741,626
L 741626
L-741,626
L-741626
Lopac-L-135
Lopac0_000742
MLS000860079
NCGC00015591-01
SCHEMBL11253588
SR-01000075973
Tocris-1003
ZINC6788
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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(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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| InChIKey |
LLBLNMUONVVVPG-UHFFFAOYSA-N
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| CAS |
81226-60-0
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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
Cell-based Assay
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound