General Information of the Compound
| Compound ID |
CP0427274
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-[5-(1-ethylindol-5-yl)oxypentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29N5O3S
|
||||||||||||||||||
| Molecular Weight |
443.573
|
||||||||||||||||||
| Canonical SMILES |
CCn1ccc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29N5O3S/c1-2-25-12-9-18-16-20(6-7-21(18)25)30-15-5-3-4-11-26-13-14-27(31(26,28)29)19-8-10-24-22(23)17-19/h6-10,12,16-17H,2-5,11,13-15H2,1H3,(H2,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDQPAVPYOSXMFZ-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