General Information of the Compound
| Compound ID |
CP0248976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4S)-1-[2-[4-[(4-cyclopentyl-1,3-thiazol-2-yl)amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31N3O2S
|
||||||||||||||||||
| Molecular Weight |
401.576
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31N3O2S/c26-14-19-13-20(27)10-12-25(19)11-9-16-5-7-18(8-6-16)23-22-24-21(15-28-22)17-3-1-2-4-17/h5-8,15,17,19-20,26-27H,1-4,9-14H2,(H,23,24)/t19-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UMRSKZNPJDYHCD-UXHICEINSA-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