General Information of the Compound
Compound ID
CP0380952
Compound Name
(5R)-5-(2-phenylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
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Structure
Formula
C19H18N2
Molecular Weight
274.367
Canonical SMILES
C1C[C@H](c2ccccc2-c2ccccc2)n2cncc2C1
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InChI
InChI=1S/C19H18N2/c1-2-7-15(8-3-1)17-10-4-5-11-18(17)19-12-6-9-16-13-20-14-21(16)19/h1-5,7-8,10-11,13-14,19H,6,9,12H2/t19-/m1/s1
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InChIKey
OBOHLLUZZMDIOB-LJQANCHMSA-N
Physicochemical Property
logP
4.4758
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 76317296
ChEMBL ID
CHEMBL3099699
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: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000263 NCI-H295R Homo sapiens (Human)  1
1
IC50 = 37 nM
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