General Information of the Compound
| Compound ID |
CP0693187
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-hydroxynaphthalen-1-yl 2-methylbenzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14O3
|
||||||||||||||||||
| Molecular Weight |
278.307
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(=O)Oc1cccc2c(O)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14O3/c1-12-6-2-3-7-13(12)18(20)21-17-11-5-8-14-15(17)9-4-10-16(14)19/h2-11,19H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKRCZJVRAZDKKZ-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic