General Information of the Compound
| Compound ID |
CP0542853
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[3-(difluoromethoxy)cyclobutyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20Cl2F2N4O2
|
||||||||||||||||||
| Molecular Weight |
469.319
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc(n1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)C1CC(C1)OC(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20Cl2F2N4O2/c1-28-4-2-16(27-28)12-8-14(22)18(23)19-17(12)13-9-29(5-3-15(13)26-19)20(30)10-6-11(7-10)31-21(24)25/h2,4,8,10-11,21,26H,3,5-7,9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXBBILWUSSSLFC-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 | |||||||||||||||||||
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