General Information of the Compound
| Compound ID |
CP0394713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-methyl-3-[1-methyl-7-[4-methyl-3-(prop-2-enoylamino)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H27F6N7O3
|
||||||||||||||||||
| Molecular Weight |
683.613
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H27F6N7O3/c1-5-27(47)43-25-13-23(8-6-17(25)2)42-30-40-15-20-16-46(31(49)45(4)28(20)44-30)26-14-24(9-7-18(26)3)41-29(48)19-10-21(32(34,35)36)12-22(11-19)33(37,38)39/h5-15H,1,16H2,2-4H3,(H,41,48)(H,43,47)(H,40,42,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTNVTBYLZLPDGE-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