General Information of the Compound
| Compound ID |
CP0037866
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| Compound Name |
CAS_146714-97-8
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| Synonyms |
162760-96-5
2799AH
71IH826FEG
ABP000343
AC1L1KWK
AC1Q5IB0
AKOS027313833
BDBM86708
CCG-205303
CHEBI:125619
CHEMBL31354
CS-0418
DTXSID20167467
EX-A1053
GTPL3251
GTPL80
Lopac-W-108
Lopac0_001229
N-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
NSC_104911
PDSP1_001716
PDSP2_001699
Rec 0/0277
SB19513
SCHEMBL84178
UNII-71IH826FEG
WAY 100,635
WAY-100,635
WAY-100635
WAY-100635 maleate salt/
WAY100635
Way 100635
ZINC52541473
[3H]WAY100635
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| Structure |
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| Formula |
C25H34N4O2
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| Molecular Weight |
422.573
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| Canonical SMILES |
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
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| InChI |
InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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| InChIKey |
SBPRIAGPYFYCRT-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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound