General Information of the Compound
| Compound ID |
CP0555752
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-(6-fluoro-2-methylindol-1-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26FN5O3
|
||||||||||||||||||
| Molecular Weight |
511.557
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Nc3ccc4N(CCc4c3)C(=O)Cn3c(C)cc4ccc(F)cc34)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26FN5O3/c1-17-10-18-4-5-20(30)12-25(18)35(17)15-28(36)34-9-8-19-11-21(6-7-24(19)34)33-29-22-13-26(37-2)27(38-3)14-23(22)31-16-32-29/h4-7,10-14,16H,8-9,15H2,1-3H3,(H,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXCYJMYHDLAATR-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