General Information of the Compound
| Compound ID |
CP0444569
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C35H35N5O3S
|
||||||||||||||||||
| Molecular Weight |
605.764
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(Nc5nccc(n5)-c5cccs5)c4)cc3)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H35N5O3S/c1-23-6-9-26(19-30(23)39-35-36-15-12-29(38-35)33-5-4-18-44-33)34(41)37-28-10-7-24(8-11-28)13-16-40-17-14-25-20-31(42-2)32(43-3)21-27(25)22-40/h4-12,15,18-21H,13-14,16-17,22H2,1-3H3,(H,37,41)(H,36,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMPWGQIXLRCHKJ-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 | |||||||||||||||||||
| 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