General Information of the Compound
Compound ID
CP0479804
Compound Name
(4'aS,5R,9'aR)-spiro[1,4-dihydroimidazole-5,3'-2,4,4a,9,9a,10-hexahydro-1H-anthracene]
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Structure
Formula
C16H20N2
Molecular Weight
240.35
Canonical SMILES
C1N=CN[C@@]11CC[C@@H]2Cc3ccccc3C[C@H]2C1
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InChI
InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1
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InChIKey
BAMMEMQIAYAJNE-OWCLPIDISA-N
Physicochemical Property
logP
2.5718
Rotatable Bonds
0
Heavy Atom Count
18
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 10847653
SID: 15889658
ChEMBL ID
CHEMBL165529
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1.259 nM
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