General Information of the Compound
| Compound ID |
CP0303860
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[4-[1-(2,1,3-benzoxadiazol-4-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N7O3
|
||||||||||||||||||
| Molecular Weight |
499.575
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc2ccn(Cc3cccc4nonc34)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N7O3/c1-27(2,3)36-26(35)32-10-7-21(8-11-32)34-17-20(15-29-34)19-13-24-22(28-14-19)9-12-33(24)16-18-5-4-6-23-25(18)31-37-30-23/h4-6,9,12-15,17,21H,7-8,10-11,16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKESEUVJTIJZFJ-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: PT01201, Hepatocyte growth factor receptor