General Information of the Compound
| Compound ID |
CP0010590
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R/S)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17N3O5
|
||||||||||||||||||
| Molecular Weight |
379.372
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C(CCc2c1)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17N3O5/c1-28-13-4-5-14-11(8-13)2-6-18(14)22-20(25)19(24)16-10-21-17-7-3-12(23(26)27)9-15(16)17/h3-5,7-10,18,21H,2,6H2,1H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDHLHILIXOHGNF-UHFFFAOYSA-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