General Information of the Compound
Compound ID
CP0536486
Compound Name
3-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
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Structure
Formula
C27H34N4O3
Molecular Weight
462.594
Canonical SMILES
Cc1noc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1C
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InChI
InChI=1S/C27H34N4O3/c1-21-22(2)29-34-26(21)28-27(32)31(16-15-30-17-19-33-20-18-30)14-13-25(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,25H,13-20H2,1-2H3,(H,28,32)
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InChIKey
QCHQGRNMDPXWFW-UHFFFAOYSA-N
Physicochemical Property
logP
4.67974
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
70.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 58938052
ChEMBL ID
CHEMBL2377733
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: PT01916, Extracellular calcium-sensing receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1700 nM
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