General Information of the Compound
| Compound ID |
CP0448050
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-Phenoxy-benzyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N5O2
|
||||||||||||||||||
| Molecular Weight |
455.562
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCN3CCCC3)ncc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N5O2/c33-27(28-19-21-8-11-25(12-9-21)34-24-6-2-1-3-7-24)30-23-10-13-26-22(18-23)20-29-32(26)17-16-31-14-4-5-15-31/h1-3,6-13,18,20H,4-5,14-17,19H2,(H2,28,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
STSGJULYNQJUDO-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