General Information of the Compound
Compound ID
CP0527023
Compound Name
1-(3,3-diphenylpropyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-morpholin-4-ylethyl)urea
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Structure
Formula
C26H32N4O3
Molecular Weight
448.567
Canonical SMILES
Cc1cc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)no1
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InChI
InChI=1S/C26H32N4O3/c1-21-20-25(28-33-21)27-26(31)30(15-14-29-16-18-32-19-17-29)13-12-24(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,20,24H,12-19H2,1H3,(H,27,28,31)
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InChIKey
SOBOOXUVZQHWOO-UHFFFAOYSA-N
Physicochemical Property
logP
4.37132
Rotatable Bonds
9
Heavy Atom Count
33
Polar Areas
70.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 58938076
ChEMBL ID
CHEMBL2377732
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 = 200 nM
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