General Information of the Compound
Compound ID
CP0876838
Compound Name
N-Isopropyl-2-pyridin-2-yl-pyrimidine-4,6-diamine
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Structure
Formula
C12H15N5
Molecular Weight
229.287
Canonical SMILES
CC(C)Nc1cc(N)nc(-c2ccccn2)n1
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InChI
InChI=1S/C12H15N5/c1-8(2)15-11-7-10(13)16-12(17-11)9-5-3-4-6-14-9/h3-8H,1-2H3,(H3,13,15,16,17)
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InChIKey
AHDHCVGTBJOGOB-UHFFFAOYSA-N
Physicochemical Property
logP
1.9411
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
76.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 67036269
ChEMBL ID
CHEMBL4532264
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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