General Information of the Compound
Compound ID
CP0860773
Compound Name
1-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)-1,4-diazepan-5-one
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Structure
Formula
C25H23ClN4O
Molecular Weight
430.939
Canonical SMILES
O=C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CCN1
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InChI
InChI=1S/C25H23ClN4O/c26-21-9-6-19(7-10-21)25-22(17-29-14-12-24(31)27-13-15-29)30-16-20(8-11-23(30)28-25)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,31)
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InChIKey
AGIKVIHHVOZXNB-UHFFFAOYSA-N
Physicochemical Property
logP
4.6436
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
49.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 121309776
ChEMBL ID
CHEMBL4284033
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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 <= 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06319, Solute carrier family 2, facilitated glucose transporter member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 <= 1000 nM
   TI
   LI
   LO
   TS