TETRAPHENYLPORPHINE TETRASULFONIC ACID

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form

Structure

InChI Key YAVMDSYMZGJNES-LWQDQPMZSA-N
Smiles O=S(=O)(O)c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4nc2C=C4)C=C3)cc1
InChI
InChI=1S/C44H30N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45-46H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H30N4O12S4
Molecular Weight 935.01
AlogP 8.31
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 274.84
Molecular species ACID
Aromatic Rings 7.0
Heavy Atoms 64.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- - - - 61
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 61
Mus musculus
- 160-200 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1207607
SureChEMBL SCHEMBL20456165
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