General Information of the Compound
| Compound ID |
CP0467952
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(1H-indazol-5-yl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N5O
|
||||||||||||||||||
| Molecular Weight |
439.563
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cccc(CN2CCC(Cc3ccccc3)CC2)c1)Nc1ccc2[nH]ncc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N5O/c33-27(30-25-9-10-26-23(17-25)18-28-31-26)29-24-8-4-7-22(16-24)19-32-13-11-21(12-14-32)15-20-5-2-1-3-6-20/h1-10,16-18,21H,11-15,19H2,(H,28,31)(H2,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHWQFOSMMBMAQY-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