General Information of the Compound
| Compound ID |
CP0939954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-4-[benzyl(2-hydroxyethyl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N2O3
|
||||||||||||||||||
| Molecular Weight |
352.434
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2ccc(C#N)cc2[C@H](N(CCO)Cc2ccccc2)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N2O3/c1-21(2)20(25)19(17-12-16(13-22)8-9-18(17)26-21)23(10-11-24)14-15-6-4-3-5-7-15/h3-9,12,19-20,24-25H,10-11,14H2,1-2H3/t19-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZPABPZMHGCHQW-VQTJNVASSA-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