General Information of the Compound
| Compound ID |
CP0422802
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-4-(5-Chloro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15ClN2O4
|
||||||||||||||||||
| Molecular Weight |
382.803
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1C(=O)c2ccc(Cl)cc2C1=O)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15ClN2O4/c1-20(2)17(24)16(14-7-10(9-22)3-6-15(14)27-20)23-18(25)12-5-4-11(21)8-13(12)19(23)26/h3-8,16-17,24H,1-2H3/t16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXYGSKWAABMPHW-SJORKVTESA-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