General Information of the Compound
| Compound ID |
CP0433782
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-4-(5-Chloro-1H-benzoimidazol-2-ylsulfanyl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
385.876
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](Sc2nc3ccc(Cl)cc3[nH]2)[C@@H]1O)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16ClN3O2S/c1-19(2)17(24)16(12-7-10(9-21)3-6-15(12)25-19)26-18-22-13-5-4-11(20)8-14(13)23-18/h3-8,16-17,24H,1-2H3,(H,22,23)/t16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VARRSKARLLYXHL-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