General Information of the Compound
| Compound ID |
CP0856388
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID121284955
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25N7O3S
|
||||||||||||||||||
| Molecular Weight |
515.599
|
||||||||||||||||||
| Canonical SMILES |
Oc1nc2ccccc2n1C1CCN(C(c2cccs2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N7O3S/c34-26-27-19-4-1-2-5-20(19)32(26)17-9-11-31(12-10-17)24(23-6-3-15-37-23)25-28-29-30-33(25)18-7-8-21-22(16-18)36-14-13-35-21/h1-8,15-17,24H,9-14H2,(H,27,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKJCXMSHALVODL-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
Protein ID: PT06124, Paired box protein Pax-8