General Information of the Compound
Compound ID
CP0850993
Compound Name
amino(2-(3-(benzyloxy)benzylidene)hydrazinyl)methaniminium
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Structure
Formula
C15H16N4O
Molecular Weight
268.32
Canonical SMILES
N=C(N)N/N=C/c1cccc(OCc2ccccc2)c1
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InChI
InChI=1S/C15H16N4O/c16-15(17)19-18-10-13-7-4-8-14(9-13)20-11-12-5-2-1-3-6-12/h1-10H,11H2,(H4,16,17,19)/b18-10+
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InChIKey
OYMSXHFUKGKODW-VCHYOVAHSA-N
Physicochemical Property
logP
2.08257
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
83.49
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 5356927
ChEMBL ID
CHEMBL3769719
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: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS