General Information of the Compound
| Compound ID |
CP0393237
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-[(2S)-oxolan-2-yl]-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23F3N4O4S
|
||||||||||||||||||
| Molecular Weight |
460.478
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)[C@@H]1CCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23F3N4O4S/c1-25-11-18(23-12-25)31(27,28)26-9-15(17-6-3-7-29-17)16(10-26)24-13-4-2-5-14(8-13)30-19(20,21)22/h2,4-5,8,11-12,15-17,24H,3,6-7,9-10H2,1H3/t15-,16-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKQNPXHMDJSTLD-ULQDDVLXSA-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