General Information of the Compound
| Compound ID |
CP0683686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S)-1-[(2-amino-3H-benzimidazol-5-yl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N5O4S
|
||||||||||||||||||
| Molecular Weight |
465.535
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc5nc(N)[nH]c5c4)C3=O)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N5O4S/c1-32-17-5-3-15-4-6-18(12-16(15)11-17)33(30,31)27-20-8-9-28(22(20)29)13-14-2-7-19-21(10-14)26-23(24)25-19/h2-7,10-12,20,27H,8-9,13H2,1H3,(H3,24,25,26)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTOKMAIVSPYLMD-FQEVSTJZSA-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