General Information of the Compound
Compound ID
CP0942213
Compound Name
N-isopropyl-5-methoxy-2,2'-bipyrimidin-4-amine
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Structure
Formula
C12H15N5O
Molecular Weight
245.286
Canonical SMILES
COc1cnc(-c2ncccn2)nc1NC(C)C
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InChI
InChI=1S/C12H15N5O/c1-8(2)16-10-9(18-3)7-15-12(17-10)11-13-5-4-6-14-11/h4-8H,1-3H3,(H,15,16,17)
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InChIKey
WQENZGCWEFQPTJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.7625
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
72.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 51042020
SID: 117702632
ChEMBL ID
CHEMBL4452382
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: PT06765, Hepcidin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 > 50000 nM
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