General Information of the Compound
| Compound ID |
CP0498482
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[2-[2-[[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-oxoethoxy]acetyl]piperazin-1-yl]-N-tert-butylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40N6O6
|
||||||||||||||||||
| Molecular Weight |
604.708
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)COCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nc(n1)-c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H40N6O6/c1-32(2,3)36-28(39)19-37-14-16-38(17-15-37)30(41)21-44-20-29(40)34-27-18-26(22-6-10-24(42-4)11-7-22)33-31(35-27)23-8-12-25(43-5)13-9-23/h6-13,18H,14-17,19-21H2,1-5H3,(H,36,39)(H,33,34,35,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTFQQPREKIXIFF-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 | |||||||||||||||||||
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