General Information of the Compound
| Compound ID |
CP0857469
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID47200316
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31Cl2N5O2S
|
||||||||||||||||||
| Molecular Weight |
560.551
|
||||||||||||||||||
| Canonical SMILES |
CC(Nc1nc(-c2ccc(Cl)cc2)cs1)c1nc2cc(Cl)c(N3CCCCC3)cc2n1CCOCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31Cl2N5O2S/c1-18(30-27-32-23(17-37-27)19-5-7-20(28)8-6-19)26-31-22-15-21(29)24(33-9-3-2-4-10-33)16-25(22)34(26)11-13-36-14-12-35/h5-8,15-18,35H,2-4,9-14H2,1H3,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRCIKANCABWGDI-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3