General Information of the Compound
Compound ID
CP0510742
Compound Name
(4S)-4-[[(1aR)-1,2,3,7b-tetrahydrocyclopropa[a]naphthalen-1a-yl]methyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C15H18N2
Molecular Weight
226.323
Canonical SMILES
C([C@H]1CN=CN1)[C@@]12CC1c1ccccc1CC2
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InChI
InChI=1S/C15H18N2/c1-2-4-13-11(3-1)5-6-15(8-14(13)15)7-12-9-16-10-17-12/h1-4,10,12,14H,5-9H2,(H,16,17)/t12-,14?,15-/m0/s1
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InChIKey
UBVJBBCZXIOSMF-JDLVMGNASA-N
Physicochemical Property
logP
2.4967
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 10823140
SID: 15863799
ChEMBL ID
CHEMBL353212
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 = 63.1 nM
   TI
   LI
   LO
   TS