General Information of the Compound
| Compound ID |
CP0069720
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethoxy]-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N6O3S
|
||||||||||||||||||
| Molecular Weight |
528.638
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1sc(nc1OCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N6O3S/c29-25(35)24-27(34-28(38-24)17-11-12-30-22(15-17)33-26(36)16-9-10-16)37-14-13-31-23-18-5-1-3-7-20(18)32-21-8-4-2-6-19(21)23/h1,3,5,7,11-12,15-16H,2,4,6,8-10,13-14H2,(H2,29,35)(H,31,32)(H,30,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPERTJUHSMWYIC-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