General Information of the Compound
Compound ID
CP0435922
Compound Name
N-[4-[(1-benzoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
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Structure
Formula
C30H29N3O4S
Molecular Weight
527.646
Canonical SMILES
Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)c1ccccc1
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InChI
InChI=1S/C30H29N3O4S/c1-21-9-5-6-12-24(21)29(34)31-27-15-16-28(26-14-8-7-13-25(26)27)38(36,37)32-23-17-19-33(20-18-23)30(35)22-10-3-2-4-11-22/h2-16,23,32H,17-20H2,1H3,(H,31,34)
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InChIKey
BGAJBPXTYAWRIL-UHFFFAOYSA-N
Physicochemical Property
logP
4.98362
Rotatable Bonds
6
Heavy Atom Count
38
Polar Areas
95.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
38

"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: 16105882
SID: 24752667
ChEMBL ID
CHEMBL387451
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: PT03816, C-C chemokine receptor type 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000233 L1.2 Mus musculus (Mouse)  1
1
Ki = 81.1 nM
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