General Information of the Compound
| Compound ID |
CP0377787
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-(4-Benzyl-piperidin-1-ylmethyl)-benzo[1,3]dioxol-5-yl]-3-(1H-indazol-6-yl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N5O3
|
||||||||||||||||||
| Molecular Weight |
483.572
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc2c[nH]nc2c1)Nc1cc2OCOc2cc1CN1CCC(Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N5O3/c34-28(30-23-7-6-21-16-29-32-25(21)14-23)31-24-15-27-26(35-18-36-27)13-22(24)17-33-10-8-20(9-11-33)12-19-4-2-1-3-5-19/h1-7,13-16,20H,8-12,17-18H2,(H,29,32)(H2,30,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQFGYWZUCHKHDK-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