General Information of the Compound
Compound ID
CP0014376
Compound Name
1H-1,3-benzodiazol-2-amine
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Structure
Formula
C7H7N3
Molecular Weight
133.154
Canonical SMILES
Nc1nc2ccccc2[nH]1
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InChI
InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
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InChIKey
JWYUFVNJZUSCSM-UHFFFAOYSA-N
CAS
934-32-7
144704-99-4
Physicochemical Property
logP
1.1451
Rotatable Bonds
0
Heavy Atom Count
10
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
10

"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: 13624
SID: 15119967
ChEMBL ID
CHEMBL305513
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: PT03817, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4100 nM
   TI
   LI
   LO
   TS