General Information of the Compound
| Compound ID |
CP0879609
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID121285472
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33N7O
|
||||||||||||||||||
| Molecular Weight |
507.642
|
||||||||||||||||||
| Canonical SMILES |
O=C1NCN(c2ccccc2)C12CCN(C(CCc1ccccc1)c1nnnn1Cc1ccccc1)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33N7O/c38-29-30(36(23-31-29)26-14-8-3-9-15-26)18-20-35(21-19-30)27(17-16-24-10-4-1-5-11-24)28-32-33-34-37(28)22-25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,31,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYOYYTAZFXXAGI-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