General Information of the Compound
| Compound ID |
CP0380595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-4-(dimethylamino)-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]but-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33N9O2
|
||||||||||||||||||
| Molecular Weight |
491.6
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C\C=C\C(=O)Nc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33N9O2/c1-18-16-22(31-30-18)27-21-17-23(34-14-12-33(4)13-15-34)29-25(28-21)36-20-9-7-19(8-10-20)26-24(35)6-5-11-32(2)3/h5-10,16-17H,11-15H2,1-4H3,(H,26,35)(H2,27,28,29,30,31)/b6-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSDVIELCIGNUOI-AATRIKPKSA-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