General Information of the Compound
| Compound ID |
CP0914961
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]-1-(1-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20ClN5O2S2
|
||||||||||||||||||
| Molecular Weight |
437.978
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCC(n2cc(S(=O)(=O)C3=C(Cl)NC4SC=CN34)c3cccnc32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20ClN5O2S2/c1-22-7-3-4-12(10-22)24-11-14(13-5-2-6-20-16(13)24)28(25,26)17-15(19)21-18-23(17)8-9-27-18/h2,5-6,8-9,11-12,18,21H,3-4,7,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AGURDUIHGPJRCR-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