General Information of the Compound
Compound ID
CP0519743
Compound Name
4-chloro-N-[3-(6-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-c]pyridin-4-yl)oxyphenyl]benzenesulfonamide
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Structure
Formula
C26H18ClN3O5S
Molecular Weight
519.966
Canonical SMILES
Cc1cc2C(=O)N(C(=O)c2c(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)n1)c1ccccc1
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InChI
InChI=1S/C26H18ClN3O5S/c1-16-14-22-23(26(32)30(25(22)31)19-7-3-2-4-8-19)24(28-16)35-20-9-5-6-18(15-20)29-36(33,34)21-12-10-17(27)11-13-21/h2-15,29H,1H3
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InChIKey
PAZIYVLFJMEHAP-UHFFFAOYSA-N
Physicochemical Property
logP
5.43712
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
105.67
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
36

"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: 72945710
ChEMBL ID
CHEMBL3104895
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: PT02455, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 299 nM
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