General Information of the Compound
| Compound ID |
CP0099174
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| Compound Name |
4-[5-(4-Chloro-phenyl)-4-methyl-isoxazol-3-yl]-1-phenethyl-piperidine
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| Synonyms |
5-(4-Chlorophenyl)-4-methyl-3-(1-(2-phenylethyl)piperidin-4-yl)isoxazole
5-(4-chlorophenyl)-4-methyl-3-(1-phenethylpiperidin-4-yl)-1,2-oxazole
AC1L3203
BDBM50050476
BPBio1_001096
BRD-K13211965-001-01-4
BRD-K13211965-001-02-2
BRD-K13211965-003-01-0
Biomol-NT_000048
C5B89UM05U
CHEBI:92229
CHEMBL444309
Cmpepi-3
DTXSID0043894
GTPL3302
L 741,742
L 741742
L-741,742
L-741742
L016523
L741742
NCGC00024933-01
NCGC00024933-02
SCHEMBL1388774
Tocris-1004
UNII-C5B89UM05U
ZINC602172
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| Structure |
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| Formula |
C23H25ClN2O
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| Molecular Weight |
380.919
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| Canonical SMILES |
Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
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| InChIKey |
QDMAKDIDFJTXEL-UHFFFAOYSA-N
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| CAS |
156337-32-5
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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
Clinical Information about the Compound