General Information of the Compound
Compound ID
CP0540079
Compound Name
N-[2-(4-hydroxyphenoxy)pyrimidin-5-yl]-3-methoxybenzamide
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Structure
Formula
C18H15N3O4
Molecular Weight
337.335
Canonical SMILES
COc1cccc(c1)C(=O)Nc1cnc(Oc2ccc(O)cc2)nc1
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InChI
InChI=1S/C18H15N3O4/c1-24-16-4-2-3-12(9-16)17(23)21-13-10-19-18(20-11-13)25-15-7-5-14(22)6-8-15/h2-11,22H,1H3,(H,21,23)
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InChIKey
DXVCCLPGWMZNIM-UHFFFAOYSA-N
Physicochemical Property
logP
3.2354
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
93.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 71730162
ChEMBL ID
CHEMBL2441091
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: PT01577, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000370 SC-3 Mus musculus (Mouse)  1
1
IC50 = 5900 nM
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