General Information of the Compound
| Compound ID |
CP0290287
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-methyl-N-(3-(4-methylpiperazin-1-yl)propyl)-1H-pyrrolo[3,2-d]pyridazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33ClFN7O2
|
||||||||||||||||||
| Molecular Weight |
566.081
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33ClFN7O2/c1-19-26-24(35-27(19)29(39)32-9-4-10-38-13-11-37(2)12-14-38)17-33-36-28(26)34-22-7-8-25(23(30)16-22)40-18-20-5-3-6-21(31)15-20/h3,5-8,15-17,35H,4,9-14,18H2,1-2H3,(H,32,39)(H,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LREJPDVGVCQBEA-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