General Information of the Compound
| Compound ID |
CP0125581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15N3O2
|
||||||||||||||||||
| Molecular Weight |
305.337
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2ccccc2c1\C=N\NC(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15N3O2/c22-17-11-10-13-6-4-5-9-15(13)16(17)12-19-21-18(23)20-14-7-2-1-3-8-14/h1-12,22H,(H2,20,21,23)/b19-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZNACYGAPIIAEV-XDHOZWIPSA-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
Protein ID: PT06109, Geminin
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1