General Information of the Compound
| Compound ID |
CP0544192
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-10-oxodecyl] 4-[4-[[5-chloro-4-[2-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazine-1-carbodithioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C47H53ClN10O7S2
|
||||||||||||||||||
| Molecular Weight |
969.591
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(=S)SCCCCCCCCCC(=O)Nc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H53ClN10O7S2/c1-49-42(61)30-13-9-10-15-33(30)52-41-32(48)28-50-46(55-41)53-34-19-18-29(27-37(34)65-2)56-22-24-57(25-23-56)47(66)67-26-11-7-5-3-4-6-8-17-38(59)51-35-16-12-14-31-40(35)45(64)58(44(31)63)36-20-21-39(60)54-43(36)62/h9-10,12-16,18-19,27-28,36H,3-8,11,17,20-26H2,1-2H3,(H,49,61)(H,51,59)(H,54,60,62)(H2,50,52,53,55)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVQQTJAEIVJFIC-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