General Information of the Compound
Compound ID
CP0214603
Compound Name
N,N'-bis(4-carbamimidoylphenyl)oxamide
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Structure
Formula
C16H16N6O2
Molecular Weight
324.344
Canonical SMILES
NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
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InChI
InChI=1S/C16H16N6O2/c17-13(18)9-1-5-11(6-2-9)21-15(23)16(24)22-12-7-3-10(4-8-12)14(19)20/h1-8H,(H3,17,18)(H3,19,20)(H,21,23)(H,22,24)
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InChIKey
DOQCDEYHJCYWQO-UHFFFAOYSA-N
Physicochemical Property
logP
0.83194
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
157.94
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 127045142
ChEMBL ID
CHEMBL3828410
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: PT03634, Transmembrane protease serine 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 6230 nM
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