General Information of the Compound
| Compound ID |
CP0865837
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID121284948
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27N7O4
|
||||||||||||||||||
| Molecular Weight |
549.591
|
||||||||||||||||||
| Canonical SMILES |
Oc1nc2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27N7O4/c38-30-31-22-6-2-3-7-23(22)36(30)20-11-13-35(14-12-20)28(27-17-19-5-1-4-8-24(19)41-27)29-32-33-34-37(29)21-9-10-25-26(18-21)40-16-15-39-25/h1-10,17-18,20,28H,11-16H2,(H,31,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKRHAVUVWORJMO-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: PT06124, Paired box protein Pax-8