General Information of the Compound
Compound ID
CP0260243
Compound Name
[6-(4-chlorophenyl)-3-phosphonoquinoxalin-2-yl]phosphonic acid
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Structure
Formula
C14H11ClN2O6P2
Molecular Weight
400.651
Canonical SMILES
OP(O)(=O)c1nc2ccc(cc2nc1P(O)(O)=O)-c1ccc(Cl)cc1
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InChI
InChI=1S/C14H11ClN2O6P2/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)17-14(25(21,22)23)13(16-11)24(18,19)20/h1-7H,(H2,18,19,20)(H2,21,22,23)
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InChIKey
DYERCXGGLKEADN-UHFFFAOYSA-N
Physicochemical Property
logP
1.5562
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
140.84
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 168275487
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: PT00848, Interstitial collagenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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