General Information of the Compound
Compound ID
CP0372526
Compound Name
4-(1-(2-methylbenzamido)naphthalene-4-sulfonamido)piperidine-1-carboxamide
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Structure
Formula
C24H26N4O4S
Molecular Weight
466.563
Canonical SMILES
Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(N)=O
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InChI
InChI=1S/C24H26N4O4S/c1-16-6-2-3-7-18(16)23(29)26-21-10-11-22(20-9-5-4-8-19(20)21)33(31,32)27-17-12-14-28(15-13-17)24(25)30/h2-11,17,27H,12-15H2,1H3,(H2,25,30)(H,26,29)
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InChIKey
UCZAFPIJTHEDCJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.22192
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
121.6
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 16105888
SID: 24752671
ChEMBL ID
CHEMBL373504
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 = 243 nM
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