General Information of the Compound
| Compound ID |
CP0230599
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(2S,3S)-3-(2-hydroxypropan-2-yl)-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N2O
|
||||||||||||||||||
| Molecular Weight |
294.398
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1[C@H](CCN1c1ccc(C#N)c2ccccc12)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N2O/c1-13-17(19(2,3)22)10-11-21(13)18-9-8-14(12-20)15-6-4-5-7-16(15)18/h4-9,13,17,22H,10-11H2,1-3H3/t13-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONJLFPJXEMBCFJ-GUYCJALGSA-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