General Information of the Compound
| Compound ID |
CP0518744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(5-hydroxy-5-(prop-1-ynyl)-5,6,7,8-tetrahydronaphthalen-2-yl)-1-methyl-1H-pyrrole-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N2O
|
||||||||||||||||||
| Molecular Weight |
290.366
|
||||||||||||||||||
| Canonical SMILES |
CC#CC1(O)CCCc2cc(ccc12)-c1ccc(C#N)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N2O/c1-3-10-19(22)11-4-5-14-12-15(6-8-17(14)19)18-9-7-16(13-20)21(18)2/h6-9,12,22H,4-5,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXGBNNQCSSFWPK-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