General Information of the Compound
| Compound ID |
CP0495651
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-4-(2,5-Difluorophenyl)-2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29F2N3O2
|
||||||||||||||||||
| Molecular Weight |
441.522
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCN(C)CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F2N3O2/c1-28-12-10-21(11-13-28)29(2)24(32)30-16-18(22-14-20(26)8-9-23(22)27)15-25(30,17-31)19-6-4-3-5-7-19/h3-9,14-15,21,31H,10-13,16-17H2,1-2H3/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHSRGBXUKPJFAB-RUZDIDTESA-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