General Information of the Compound
Compound ID
CP0564818
Compound Name
2-(5H-imidazo[5,1-a]isoindol-5-yl)-N-(1H-indazol-6-yl)acetamide
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Structure
Formula
C19H15N5O
Molecular Weight
329.363
Canonical SMILES
O=C(CC1c2ccccc2-c2cncn12)Nc1ccc2cn[nH]c2c1
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InChI
InChI=1S/C19H15N5O/c25-19(22-13-6-5-12-9-21-23-16(12)7-13)8-17-14-3-1-2-4-15(14)18-10-20-11-24(17)18/h1-7,9-11,17H,8H2,(H,21,23)(H,22,25)
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InChIKey
FQCGQYUGNCXABM-UHFFFAOYSA-N
Physicochemical Property
logP
3.358
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
75.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 141501926
ChEMBL ID
CHEMBL4218033
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 33100 nM
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