General Information of the Compound
| Compound ID |
CP0526436
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H39N9O3
|
||||||||||||||||||
| Molecular Weight |
585.713
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1nccc(NC(=O)Nc2cccc(NC(=O)C=C)c2)n1)N1CCC(CC1)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39N9O3/c1-4-29(41)33-22-6-5-7-23(20-22)34-31(42)37-28-10-13-32-30(36-28)35-26-9-8-25(21-27(26)43-3)39-14-11-24(12-15-39)40-18-16-38(2)17-19-40/h4-10,13,20-21,24H,1,11-12,14-19H2,2-3H3,(H,33,41)(H3,32,34,35,36,37,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPTVFLBBUVVNJG-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