General Information of the Compound
| Compound ID |
CP0899374
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID121284974
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N7O3
|
||||||||||||||||||
| Molecular Weight |
511.586
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(c2nnnn2-c2ccc(OC)cc2)N2CCC(n3c(O)nc4ccccc43)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N7O3/c1-37-22-11-7-19(8-12-22)26(27-30-31-32-35(27)21-9-13-23(38-2)14-10-21)33-17-15-20(16-18-33)34-25-6-4-3-5-24(25)29-28(34)36/h3-14,20,26H,15-18H2,1-2H3,(H,29,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKBQQYXZQRAUKO-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