General Information of the Compound
Compound ID
CP0485217
Compound Name
3-[N'-(4,5-Dihydro-1H-imidazol-2-yl)-N-p-tolyl-hydrazino]-phenol
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Structure
Formula
C16H18N4O
Molecular Weight
282.347
Canonical SMILES
Cc1ccc(cc1)N(N=C1NCCN1)c1cccc(O)c1
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InChI
InChI=1S/C16H18N4O/c1-12-5-7-13(8-6-12)20(19-16-17-9-10-18-16)14-3-2-4-15(21)11-14/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19)
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InChIKey
ONSCHPQYHGOIQX-UHFFFAOYSA-N
Physicochemical Property
logP
2.30252
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
59.89
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 9883506
ChEMBL ID
CHEMBL194849
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: PT01089, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 26.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT01007, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 843 nM
   TI
   LI
   LO
   TS
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 49.7 nM
   TI
   LI
   LO
   TS
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 = 23.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 18 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 12.8 nM
   TI
   LI
   LO
   TS