General Information of the Compound
| Compound ID |
CP0401021
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(7E)-5-(2-aminoacetyl)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-phenylethyl]-4,6-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29Cl2N5O3
|
||||||||||||||||||
| Molecular Weight |
590.511
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccc2)C(=O)CN)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29Cl2N5O3/c1-19(21-6-4-3-5-7-21)35-31(40)29-25-18-37(28(39)16-34)17-22(14-20-8-11-24(41-2)12-9-20)30(25)38(36-29)27-13-10-23(32)15-26(27)33/h3-15,19H,16-18,34H2,1-2H3,(H,35,40)/b22-14+/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBBZGOJRCWGLHH-VZMFNRANSA-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2