General Information of the Compound
| Compound ID |
CP0535170
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-bromo-5-(2-chlorobenzoylamino)-1-(2-dimethylaminoethyl)-1H-pyrazole-3-carboxylic acid [2-(3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-yl)ethyl]amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33BrClN7O2
|
||||||||||||||||||
| Molecular Weight |
602.965
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCn1nc(C(=O)NCCC2CCN(CC2)c2ccncc2)c(Br)c1NC(=O)c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33BrClN7O2/c1-34(2)17-18-36-25(32-26(37)21-5-3-4-6-22(21)29)23(28)24(33-36)27(38)31-14-7-19-10-15-35(16-11-19)20-8-12-30-13-9-20/h3-6,8-9,12-13,19H,7,10-11,14-18H2,1-2H3,(H,31,38)(H,32,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWYVOTLFOBPIEN-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound