General Information of the Compound
| Compound ID |
CP0122651
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| Compound Name |
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
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| Synonyms |
393514-24-4
4-(3-Chloro-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-1-piperazinecarboxamide, BCTC
AKOS024457842
AZ0001-0587
B-110
B7520
BCP19629
BCTC
BCTC, >
BDBM50133817
BN0674
CHEMBL441472
CS-5476
CTK8F0011
DA-42544
DTXSID90432997
FT-0696667
GTPL2460
HY-19960
KS-00001DIH
MCULE-6176078265
MFCD08690556
MolPort-003-983-482
N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide
NCGC00370959-01
RT-011429
SCHEMBL1269620
TRA0012037
ZINC27109670
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| Structure |
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| Formula |
C20H25ClN4O
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| Molecular Weight |
372.9
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
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| InChI |
InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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| InChIKey |
ROGUAPYLUCHQGK-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT06117, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Clinical Information about the Compound