General Information of the Compound
| Compound ID |
CP0544941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-pyrrolidin-1-ylethyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carbodithioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H47ClN6O3S3
|
||||||||||||||||||
| Molecular Weight |
731.454
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(C2CCN(CC2)C(=S)SCCN2CCCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H47ClN6O3S3/c1-23(2)45-31-21-27(26-12-16-42(17-13-26)35(46)47-19-18-41-14-8-9-15-41)25(5)20-30(31)39-34-37-22-28(36)33(40-34)38-29-10-6-7-11-32(29)48(43,44)24(3)4/h6-7,10-11,20-24,26H,8-9,12-19H2,1-5H3,(H2,37,38,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGTMBNUGLPSXIQ-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