General Information of the Compound
| Compound ID |
CP0432771
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-[2-(azepan-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N5O2
|
||||||||||||||||||
| Molecular Weight |
469.589
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCN3CCCCCC3)ncc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N5O2/c34-28(30-23-10-13-26(14-11-23)35-25-8-4-3-5-9-25)31-24-12-15-27-22(20-24)21-29-33(27)19-18-32-16-6-1-2-7-17-32/h3-5,8-15,20-21H,1-2,6-7,16-19H2,(H2,30,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHGDIVQNYIWTEJ-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