General Information of the Compound
| Compound ID |
CP0436308
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 3-[[benzyl-[2-oxo-2-[[6-oxo-6-(3-phenylprop-2-ynylamino)hexyl]amino]ethyl]amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C50H52F2N8O6
|
||||||||||||||||||
| Molecular Weight |
899.012
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)NCCCCCC(=O)NCC#Cc1ccccc1)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C50H52F2N8O6/c1-3-53-49(65)56-38-26-24-37(25-27-38)46-43(60-47(63)40(48(64)66-4-2)32-59(50(60)57-46)31-39-41(51)21-14-22-42(39)52)33-58(30-36-18-10-6-11-19-36)34-45(62)55-28-13-7-12-23-44(61)54-29-15-20-35-16-8-5-9-17-35/h5-6,8-11,14,16-19,21-22,24-27,32H,3-4,7,12-13,23,28-31,33-34H2,1-2H3,(H,54,61)(H,55,62)(H2,53,56,65)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVKWYTWQEIDJOF-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