General Information of the Compound
Compound ID
CP0557115
Compound Name
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
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Structure
Formula
C23H24N4O
Molecular Weight
372.472
Canonical SMILES
C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(C2CC2)c2ccccc12
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InChI
InChI=1S/C23H24N4O/c1-17(18-7-3-2-4-8-18)27-16-24-15-22(27)23(28)26-14-13-25(19-11-12-19)20-9-5-6-10-21(20)26/h2-10,15-17,19H,11-14H2,1H3/t17-/m1/s1
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InChIKey
LRVQGFKSRFYBMY-QGZVFWFLSA-N
Physicochemical Property
logP
4.1216
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 155669602
ChEMBL ID
CHEMBL4779837
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: PT02509, G-protein coupled bile acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 0.33 nM
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