General Information of the Compound
| Compound ID |
CP0877012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID103159016
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N4S
|
||||||||||||||||||
| Molecular Weight |
392.572
|
||||||||||||||||||
| Canonical SMILES |
c1ccc(-c2cc3nc(NCC4CC4)nc(NCC4CCCCC4)c3s2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N4S/c1-3-7-16(8-4-1)14-24-22-21-19(26-23(27-22)25-15-17-11-12-17)13-20(28-21)18-9-5-2-6-10-18/h2,5-6,9-10,13,16-17H,1,3-4,7-8,11-12,14-15H2,(H2,24,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBFLDKKZURXXJF-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