General Information of the Compound
| Compound ID |
CP0190745
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(2-pyrazol-1-yl-ethyl)-pyrrolidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H38N4O5
|
||||||||||||||||||
| Molecular Weight |
498.624
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCn1cccn1)C(O)=O)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H38N4O5/c1-3-5-12-29(13-6-4-2)25(32)18-30-17-21(20-8-9-23-24(16-20)36-19-35-23)26(27(33)34)22(30)10-15-31-14-7-11-28-31/h7-9,11,14,16,21-22,26H,3-6,10,12-13,15,17-19H2,1-2H3,(H,33,34)/t21-,22+,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOMNHAGPHWGKAM-TVZXLZGTSA-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