General Information of the Compound
| Compound ID |
CP0401307
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-Benzyl-piperidin-4-yl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34N6O
|
||||||||||||||||||
| Molecular Weight |
446.599
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)Nc1ccc2cnn(CCN3CCCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34N6O/c33-26(28-23-10-14-31(15-11-23)20-21-6-2-1-3-7-21)29-24-9-8-22-19-27-32(25(22)18-24)17-16-30-12-4-5-13-30/h1-3,6-9,18-19,23H,4-5,10-17,20H2,(H2,28,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJVGRCGIEZTCEH-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