General Information of the Compound
| Compound ID |
CP0081137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-1-[[4-[2-methyl-3-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31N3O2
|
||||||||||||||||||
| Molecular Weight |
405.542
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccc(cc2n1C[C@@H]1CCCO1)-c1ccc(CN2CCC[C@H]2CO)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQSNRUPTXRLHMZ-GOTSBHOMSA-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