General Information of the Compound
Compound ID
CP0395739
Compound Name
1,10-phenanthroline-4,7-dicarbaldehyde
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Structure
Formula
C14H8N2O2
Molecular Weight
236.23
Canonical SMILES
O=Cc1ccnc2c1ccc1c(C=O)ccnc21
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InChI
InChI=1S/C14H8N2O2/c17-7-9-3-5-15-13-11(9)1-2-12-10(8-18)4-6-16-14(12)13/h1-8H
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InChIKey
HCJOBZLFARGFLG-UHFFFAOYSA-N
Physicochemical Property
logP
2.408
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
59.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 14434082
SID: 56481590
ChEMBL ID
CHEMBL2205801
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: PT00903, C-C chemokine receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 10000 nM
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