General Information of the Compound
| Compound ID |
CP0543975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[2-(benzylamino)-2-oxoethyl]-N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-N'-methylbutanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H33N5O5
|
||||||||||||||||||
| Molecular Weight |
567.646
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCC(=O)N(C)CC(=O)NCc2ccccc2)nc(n1)-c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H33N5O5/c1-37(21-30(39)33-20-22-7-5-4-6-8-22)31(40)18-17-29(38)35-28-19-27(23-9-13-25(41-2)14-10-23)34-32(36-28)24-11-15-26(42-3)16-12-24/h4-16,19H,17-18,20-21H2,1-3H3,(H,33,39)(H,34,35,36,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATFVYDHGWRCXQR-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