General Information of the Compound
| Compound ID |
CP0756820
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(3-(7,8-Dimethoxy-5-oxo-1,5-dihydro-4H-benzo[c]-pyrrolo[2,3-h][1,6]naphthyridin-4-yl)piperidin-1-yl)-3-oxopropanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N5O4
|
||||||||||||||||||
| Molecular Weight |
445.479
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(=O)n([C@@H]3CCCN(C(=O)CC#N)C3)c3c4cc[nH]c4ncc3c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N5O4/c1-32-19-10-16-17(11-20(19)33-2)24(31)29(14-4-3-9-28(13-14)21(30)5-7-25)22-15-6-8-26-23(15)27-12-18(16)22/h6,8,10-12,14H,3-5,9,13H2,1-2H3,(H,26,27)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLGZSRKKPYFWHZ-CQSZACIVSA-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