General Information of the Compound
Compound ID
CP0536782
Compound Name
N-butylbenzotriazol-1-amine
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Structure
Formula
C10H14N4
Molecular Weight
190.25
Canonical SMILES
CCCCNn1nnc2ccccc12
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InChI
InChI=1S/C10H14N4/c1-2-3-8-11-14-10-7-5-4-6-9(10)12-13-14/h4-7,11H,2-3,8H2,1H3
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InChIKey
XSOCNEKYPHFADF-UHFFFAOYSA-N
Physicochemical Property
logP
1.7749
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
42.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 155560451
ChEMBL ID
CHEMBL4568702
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: PT06367, Cytochrome P450 4Z1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  2
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
2
IC50 = 19000 nM
   TI
   LI
   LO
   TS