General Information of the Compound
| Compound ID |
CP0092490
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| Compound Name |
2-(2,4-dichlorophenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid N-(tetrahydropyran-4-ylmethyl)amide
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| Synonyms |
2-((2,4-dichlorophenyl)amino)-N-((tetrahydro-2H-pyran-4-yl)methyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
2455AH
666260-75-9
842166X
AKOS032945128
API0013938
BCP05306
BCP9000755
BDBM50211843
C18H17Cl2F3N4O2
CHEMBL225411
CS-7768
DB11903
DTXSID60216786
GW 842166
GW 842166X
GW-842,166X
GW-842166X
GW842166
GW842166X
HMS3656P06
HY-14167
KB-77649
MLS006010287
MolPort-009-019-316
NCGC00346697-01
NCGC00346697-05
SB19546
SCHEMBL3015040
TWQYWUXBZHPIIV-UHFFFAOYSA-N
UNII-VL1I6P2DZ8
VL1I6P2DZ8
ZINC3947932
s2778
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| Structure |
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| Formula |
C18H17Cl2F3N4O2
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| Molecular Weight |
449.26
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| Canonical SMILES |
FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1
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| InChI |
InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)
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| InChIKey |
TWQYWUXBZHPIIV-UHFFFAOYSA-N
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| CAS |
666260-75-9
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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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Clinical Information about the Compound