General Information of the Compound
Compound ID
CP0960295
Compound Name
N'-(2,6-dimorpholinopyrimidin-4-yl)-2-hydroxybenzohydrazide
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Structure
Formula
C19H24N6O4
Molecular Weight
400.439
Canonical SMILES
O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1O
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InChI
InChI=1S/C19H24N6O4/c26-15-4-2-1-3-14(15)18(27)23-22-16-13-17(24-5-9-28-10-6-24)21-19(20-16)25-7-11-29-12-8-25/h1-4,13,26H,5-12H2,(H,23,27)(H,20,21,22)
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InChIKey
JCRFJRLYCSSNON-UHFFFAOYSA-N
Physicochemical Property
logP
0.6123
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
112.08
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Complexity
29

"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: 51041340
SID: 117701905
ChEMBL ID
CHEMBL4439708
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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