General Information of the Compound
Compound ID
CP0392404
Compound Name
6-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]pyridine-3-sulfonamide
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Structure
Formula
C17H18N6O3S
Molecular Weight
386.437
Canonical SMILES
CCn1c(nc2cnc(OC)cc12)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N
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InChI
InChI=1S/C17H18N6O3S/c1-4-23-15-7-16(26-3)20-10-14(15)21-17(23)11(2)22-27(24,25)13-6-5-12(8-18)19-9-13/h5-7,9-11,22H,4H2,1-3H3/t11-/m1/s1
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InChIKey
SWJNWRYTRBKOHF-LLVKDONJSA-N
Physicochemical Property
logP
1.76598
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
122.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 24985569
SID: 56327521
ChEMBL ID
CHEMBL3605556
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: PT01688, Sphingosine 1-phosphate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 28 nM
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