General Information of the Compound
Compound ID
CP0570418
Compound Name
2-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methyl-3H-pyridin-5-amine
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Structure
Formula
C10H15ClN4O
Molecular Weight
242.71
Canonical SMILES
COC1=NC(C)(Cl)CC=C1NC1=NCCN1
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InChI
InChI=1S/C10H15ClN4O/c1-10(11)4-3-7(8(15-10)16-2)14-9-12-5-6-13-9/h3H,4-6H2,1-2H3,(H2,12,13,14)
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InChIKey
AQMRXKMJHQAHSM-UHFFFAOYSA-N
Physicochemical Property
logP
0.8227
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
58.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
16

"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: 76326560
ChEMBL ID
CHEMBL2261603
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 33.88 nM
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