General Information of the Compound
Compound ID
CP0258970
Compound Name
1-cyclohexyl-2-(5,6-dihydroimidazo[1,5-c]quinazolin-5-yl)ethanol
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Structure
Formula
C18H23N3O
Molecular Weight
297.402
Canonical SMILES
OC(CC1Nc2ccccc2-c2cncn12)C1CCCCC1
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InChI
InChI=1S/C18H23N3O/c22-17(13-6-2-1-3-7-13)10-18-20-15-9-5-4-8-14(15)16-11-19-12-21(16)18/h4-5,8-9,11-13,17-18,20,22H,1-3,6-7,10H2
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InChIKey
RJXOJQYPXBXCBJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8055
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
50.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 127036787
ChEMBL ID
CHEMBL3753777
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
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1139 nM