General Information of the Compound
| Compound ID |
CP0385953
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-[(5-bromo-1H-indazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxyphenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25BrN8O2
|
||||||||||||||||||
| Molecular Weight |
549.433
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2n[nH]c3ccc(Br)cc23)nc(Oc2cccc(NC(=O)C=C)c2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25BrN8O2/c1-3-23(35)27-17-5-4-6-18(14-17)36-25-29-21(15-22(30-25)34-11-9-33(2)10-12-34)28-24-19-13-16(26)7-8-20(19)31-32-24/h3-8,13-15H,1,9-12H2,2H3,(H,27,35)(H2,28,29,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIAZJEJGKJRHQA-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