General Information of the Compound
| Compound ID |
CP0891820
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID103075184
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H36N6O5
|
||||||||||||||||||
| Molecular Weight |
596.688
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CNc2ncnc3c2ncn3[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C[C@@H](CO)O2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36N6O5/c1-41-27-13-23(14-28(42-2)31(27)43-3)15-34-32-30-33(36-20-35-32)39(21-37-30)29-18-38(17-26(19-40)44-29)16-22-9-11-25(12-10-22)24-7-5-4-6-8-24/h4-14,20-21,26,29,40H,15-19H2,1-3H3,(H,34,35,36)/t26-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJNGKIFHQHULDT-LITSAYRRSA-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: PT06124, Paired box protein Pax-8