General Information of the Compound
| Compound ID |
CP0133134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-1-[(1S,2R,4R)-2-(methoxymethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34F3N5O2
|
||||||||||||||||||
| Molecular Weight |
493.574
|
||||||||||||||||||
| Canonical SMILES |
COC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34F3N5O2/c1-15(2)32(3)18-6-8-22(16(11-18)13-35-4)33-10-9-21(24(33)34)31-23-19-12-17(25(26,27)28)5-7-20(19)29-14-30-23/h5,7,12,14-16,18,21-22H,6,8-11,13H2,1-4H3,(H,29,30,31)/t16-,18+,21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJQMEUAVQLMKRZ-REIYTJMXSA-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