General Information of the Compound
| Compound ID |
CP0492065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[4-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxopyridin-3-yl]amino]-2-(prop-2-enoylamino)benzoyl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H50N6O6
|
||||||||||||||||||
| Molecular Weight |
746.909
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(NC(=O)C=C)c2)c(=O)n(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H50N6O6/c1-10-37(50)45-35-25-31(18-19-33(35)39(52)48-20-22-49(23-21-48)41(54)55-43(6,7)8)44-36-24-29(26-47(9)40(36)53)32-12-11-13-34(27(32)2)46-38(51)28-14-16-30(17-15-28)42(3,4)5/h10-19,24-26,44H,1,20-23H2,2-9H3,(H,45,50)(H,46,51)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MMIJPXPCSOHADN-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