General Information of the Compound
| Compound ID |
CP0733615
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| Compound Name |
Porphyrin derivative
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| Synonyms |
4,4',4'',4'''-(5,10,15,20-porphyrintetrayl)tetrakis(1-methylpyridinium)
5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin
5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
ABCGFHPGHXSVKI-UHFFFAOYSA-O
AC1L1HPJ
AC1Q29RK
BDBM50107609
CHEMBL65606
J2.096.016G
N-Methylpyridylylporphyrin
TMPP
TMPyP4
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| Structure |
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| Formula |
C44H38N8+4
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| Molecular Weight |
678.844
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| Canonical SMILES |
C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc2C=C4)C=C3)cc1
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| InChI |
InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1
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| InChIKey |
ABCGFHPGHXSVKI-UHFFFAOYSA-O
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound