General Information of the Compound
| Compound ID |
CP0499070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-{[5-(2-Methoxy-phenyl)-thiophene-2-carbonyl]-methyl-amino}-pyrrolidine-1-carboxylic acid methyl-((R)-1-methyl-pyrrolidin-3-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N4O3S
|
||||||||||||||||||
| Molecular Weight |
456.612
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N(C)[C@@H]1CCN(C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N4O3S/c1-25-13-11-17(15-25)27(3)24(30)28-14-12-18(16-28)26(2)23(29)22-10-9-21(32-22)19-7-5-6-8-20(19)31-4/h5-10,17-18H,11-16H2,1-4H3/t17-,18+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDGZHRKBPISWRM-MSOLQXFVSA-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