General Information of the Compound
Compound ID
CP0543238
Compound Name
N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
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Structure
Formula
C28H26N4O3
Molecular Weight
466.541
Canonical SMILES
Cc1ccc(cc1)-c1noc(n1)-c1ccc(NC(=O)C2CN(CCc3ccccc3)C(=O)C2)cc1
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InChI
InChI=1S/C28H26N4O3/c1-19-7-9-21(10-8-19)26-30-28(35-31-26)22-11-13-24(14-12-22)29-27(34)23-17-25(33)32(18-23)16-15-20-5-3-2-4-6-20/h2-14,23H,15-18H2,1H3,(H,29,34)
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InChIKey
YSZCEXUHPUXIMR-UHFFFAOYSA-N
Physicochemical Property
logP
4.74172
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
88.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 165117351
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: PT05534, Relaxin-3 receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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