General Information of the Compound
| Compound ID |
CP0906889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID121285083
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N7
|
||||||||||||||||||
| Molecular Weight |
493.659
|
||||||||||||||||||
| Canonical SMILES |
C(=C/c1ccccc1)\CN1CCN(C(c2ccnc3ccccc23)c2nnnn2C2CCCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N7/c1-3-10-24(11-4-1)12-9-19-35-20-22-36(23-21-35)29(27-17-18-31-28-16-8-7-15-26(27)28)30-32-33-34-37(30)25-13-5-2-6-14-25/h1,3-4,7-12,15-18,25,29H,2,5-6,13-14,19-23H2/b12-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFLAHFLLCUSWBA-FMIVXFBMSA-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