General Information of the Compound
Compound ID
CP0878512
Compound Name
5,10-Bis(4-aminobiphenyl)-15,20-bis(4-pyridyl)porphyrin
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Structure
Formula
C54H38N8
Molecular Weight
798.954
Canonical SMILES
Nc1ccc(-c2ccc(-c3c4nc(c(-c5ccc(-c6ccc(N)cc6)cc5)c5ccc([nH]5)c(-c5ccncc5)c5nc(c(-c6ccncc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1
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InChI
InChI=1S/C54H38N8/c55-41-13-9-35(10-14-41)33-1-5-37(6-2-33)51-43-17-18-44(59-43)52(38-7-3-34(4-8-38)36-11-15-42(56)16-12-36)46-20-22-48(61-46)54(40-27-31-58-32-28-40)50-24-23-49(62-50)53(39-25-29-57-30-26-39)47-21-19-45(51)60-47/h1-32,60-61H,55-56H2
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InChIKey
JZNXZGTTWLNODO-UHFFFAOYSA-N
Physicochemical Property
logP
12.612
Rotatable Bonds
6
Heavy Atom Count
62
Polar Areas
135.18
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
62

"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: 137638477
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: PT01170, DNA topoisomerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
EC50 = 63430 nM
   TI
   LI
   LO
   TS
2
EC50 = 82780 nM
   TI
   LI
   LO
   TS