General Information of the Compound
Compound ID
CP0410755
Compound Name
N-[(1S,2R)-2-phenylcyclohexyl]-4,5-dihydro-1,3-oxazol-2-amine
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Structure
Formula
C15H20N2O
Molecular Weight
244.338
Canonical SMILES
C1CN=C(N[C@H]2CCCC[C@@H]2c2ccccc2)O1
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InChI
InChI=1S/C15H20N2O/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)17-15-16-10-11-18-15/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)/t13-,14+/m1/s1
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InChIKey
NATLAODAVOGBDD-KGLIPLIRSA-N
Physicochemical Property
logP
2.6886
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 44292381
ChEMBL ID
CHEMBL297228
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
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
Ki = 18.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000392 Y1 Mus musculus (Mouse)  1
1
Ki = 22.39 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
Ki = 52.48 nM
   TI
   LI
   LO
   TS