General Information of the Compound
| Compound ID |
CP0198178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-benzoimidazol-1-yl]-propan-1-ol
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM50184490
GTPL8194
PMID16539403C15b
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N5O
|
||||||||||||||||||
| Molecular Weight |
359.433
|
||||||||||||||||||
| Canonical SMILES |
OCCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N5O/c27-12-4-10-25-14-23-16-8-7-15(13-19(16)25)20-18-6-3-11-26(18)24-21(20)17-5-1-2-9-22-17/h1-2,5,7-9,13-14,27H,3-4,6,10-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYCWRTUPLPDKDX-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: PT01221, TGF-beta receptor type-1
Protein ID: PT01867, TGF-beta receptor type-2
Clinical Information about the Compound