General Information of the Compound
| Compound ID |
CP0012845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-((5-(4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)phenyl)-1H-pyrazol-1-yl)methyl)phenyl)(pyrrolidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H36N4O3
|
||||||||||||||||||
| Molecular Weight |
536.676
|
||||||||||||||||||
| Canonical SMILES |
OC(COc1ccc(cc1)-c1ccnn1Cc1ccc(cc1)C(=O)N1CCCC1)CN1CCc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36N4O3/c38-30(23-35-20-16-26-5-1-2-6-29(26)22-35)24-40-31-13-11-27(12-14-31)32-15-17-34-37(32)21-25-7-9-28(10-8-25)33(39)36-18-3-4-19-36/h1-2,5-15,17,30,38H,3-4,16,18-24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLNLTELGECZHME-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