General Information of the Compound
Compound ID
CP0509569
Compound Name
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)morpholine-4-carboxamide
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Structure
Formula
C16H15ClN4O2
Molecular Weight
330.775
Canonical SMILES
Clc1cc(NC(=O)N2CCOCC2)c2[nH]c3cnccc3c2c1
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InChI
InChI=1S/C16H15ClN4O2/c17-10-7-12-11-1-2-18-9-14(11)19-15(12)13(8-10)20-16(22)21-3-5-23-6-4-21/h1-2,7-9,19H,3-6H2,(H,20,22)
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InChIKey
KNVZFYPJWMZUTO-UHFFFAOYSA-N
Physicochemical Property
logP
3.2336
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
70.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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).

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PubChem ID
CID: 44317865
ChEMBL ID
CHEMBL311306
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: PT01239, Inhibitor of nuclear factor kappa-B kinase subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 > 20000 nM
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