General Information of the Compound
| Compound ID |
CP0476443
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-methoxy-4-(4-methylpiperazin-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H48N8O2
|
||||||||||||||||||
| Molecular Weight |
540.757
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H48N8O2/c1-33-13-17-36(18-14-33)11-6-8-30-29-31-25-23-27(39-21-7-12-35-9-4-5-10-35)26(38-3)22-24(25)28(32-29)37-19-15-34(2)16-20-37/h22-23H,4-21H2,1-3H3,(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RBRVGSXZANYOHL-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