General Information of the Compound
| Compound ID |
CP0483779
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-methyl-4-[2-oxo-9-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]-N-(1-methylpiperidin-4-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H34N6O2
|
||||||||||||||||||
| Molecular Weight |
618.741
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2[nH]ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H34N6O2/c1-24-19-32(9-10-33(24)25-3-5-26(6-4-25)39(47)43-31-14-17-44(2)18-15-31)45-36(46)12-8-29-22-41-35-11-7-27(21-34(35)37(29)45)30-20-28-13-16-40-38(28)42-23-30/h3-13,16,19-23,31H,14-15,17-18H2,1-2H3,(H,40,42)(H,43,47)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZOSYRNVTPEWRZ-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