General Information of the Compound
| Compound ID |
CP0042579
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide
BDBM13279
CHEMBL331943
CHEMBL84638
RPR-120844
RPR120844
sulfonamidopyrrolidinone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N4O4S2
|
||||||||||||||||||
| Molecular Weight |
472.592
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQYYTNCSSDRJHZ-IBGZPJMESA-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
Clinical Information about the Compound