General Information of the Compound
| Compound ID |
CP0412897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28N2O3
|
||||||||||||||||||
| Molecular Weight |
452.554
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2ccc(O)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N2O3/c1-34-23-13-14-24-21(17-23)11-15-28(26(24)16-19-6-3-2-4-7-19)31-29(33)30-27-9-5-8-20-10-12-22(32)18-25(20)27/h2-10,12-14,17-18,26,28,32H,11,15-16H2,1H3,(H2,30,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQQLTXOELCKOQJ-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