General Information of the Compound
| Compound ID |
CP0562127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{1-[3-(4-Hydroxy-piperidin-1-yl)-propyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N5O3
|
||||||||||||||||||
| Molecular Weight |
485.588
|
||||||||||||||||||
| Canonical SMILES |
OC1CCN(CCCn2ncc3cc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N5O3/c34-24-13-17-32(18-14-24)15-4-16-33-27-12-9-23(19-21(27)20-29-33)31-28(35)30-22-7-10-26(11-8-22)36-25-5-2-1-3-6-25/h1-3,5-12,19-20,24,34H,4,13-18H2,(H2,30,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQEKVDIALJJBIO-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