General Information of the Compound
| Compound ID |
CP0444538
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,6-dichlorophenyl)-1- ((1S,3R)-5-(1-ethyl-1H- pyrazol-4-yl)-3- (hydroxymethyl)-1-methyl- 3,4-dihydroisoquinolin-2(1H)- yl)ethan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
458.389
|
||||||||||||||||||
| Canonical SMILES |
CCn1cc(cn1)-c1cccc2[C@H](C)N([C@@H](CO)Cc12)C(=O)Cc1c(Cl)cccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25Cl2N3O2/c1-3-28-13-16(12-27-28)19-7-4-6-18-15(2)29(17(14-30)10-20(18)19)24(31)11-21-22(25)8-5-9-23(21)26/h4-9,12-13,15,17,30H,3,10-11,14H2,1-2H3/t15-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYXGUZDGIAJZJN-DOTOQJQBSA-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