General Information of the Compound
| Compound ID |
CP0402327
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-(4,5-dihydro-1H-benzo[g]indazol-7-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28N6O
|
||||||||||||||||||
| Molecular Weight |
476.584
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc2-c3[nH]ncc3CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N6O/c1-35(2)15-16-36-24-8-5-20(6-9-24)29-32-27(19-11-13-30-14-12-19)28(33-29)22-7-10-25-21(17-22)3-4-23-18-31-34-26(23)25/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,31,34)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHZFXRDVTTTZPH-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