General Information of the Compound
| Compound ID |
CP0452543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[7-[3-(1,4-diazepan-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]-4-fluoro-2-methylphenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30FN5O3
|
||||||||||||||||||
| Molecular Weight |
455.534
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN1CCCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30FN5O3/c1-16-20(31)6-5-18(25)23(16)29-24-17-13-21(32-2)22(14-19(17)27-15-28-24)33-12-4-10-30-9-3-7-26-8-11-30/h5-6,13-15,26,31H,3-4,7-12H2,1-2H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTDCKDIQTMHRAC-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