General Information of the Compound
| Compound ID |
CP0852542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-chloro-9H-pyrido[3,4-b]indol-7-yl)nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H11ClN4O
|
||||||||||||||||||
| Molecular Weight |
322.755
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cc(Cl)c2c(c1)[nH]c1cnccc12)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H11ClN4O/c18-13-6-11(21-17(23)10-2-1-4-19-8-10)7-14-16(13)12-3-5-20-9-15(12)22-14/h1-9,22H,(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLKCNQKVDHBCSP-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: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Protein ID: PT01072, Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Protein ID: PT03652, Mitogen-activated protein kinase kinase kinase 14