General Information of the Compound
Compound ID
CP0511348
Compound Name
1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3,4-dichlorophenyl)urea
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Structure
Formula
C15H10Cl2N2O4
Molecular Weight
353.161
Canonical SMILES
Clc1ccc(NC(=O)NC(=O)c2ccc3OCOc3c2)cc1Cl
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InChI
InChI=1S/C15H10Cl2N2O4/c16-10-3-2-9(6-11(10)17)18-15(21)19-14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6H,7H2,(H2,18,19,20,21)
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InChIKey
MBTBKQZQTIGPMG-UHFFFAOYSA-N
Physicochemical Property
logP
3.684
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 10291634
SID: 15298224
ChEMBL ID
CHEMBL1688879
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: PT01021, C-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 = 1500 nM
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