General Information of the Compound
Compound ID
CP0427914
Compound Name
4-butoxy-N-[2-(4-methoxyphenyl)-2,4-dihydro-1H-quinazolin-3-yl]benzamide
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Structure
Formula
C26H29N3O3
Molecular Weight
431.536
Canonical SMILES
CCCCOc1ccc(cc1)C(=O)NN1Cc2ccccc2NC1c1ccc(OC)cc1
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InChI
InChI=1S/C26H29N3O3/c1-3-4-17-32-23-15-11-20(12-16-23)26(30)28-29-18-21-7-5-6-8-24(21)27-25(29)19-9-13-22(31-2)14-10-19/h5-16,25,27H,3-4,17-18H2,1-2H3,(H,28,30)
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InChIKey
UTMZJAXUZHTQIO-UHFFFAOYSA-N
Physicochemical Property
logP
5.1454
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
62.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 122181412
ChEMBL ID
CHEMBL3590217
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: PT02590, N-formyl peptide receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000278 RBL-2H3 Rattus norvegicus (Rat)  2
1
EC50 = 470 nM
   TI
   LI
   LO
   TS
2
IC50 = 90 nM
   TI
   LI
   LO
   TS