General Information of the Compound
| Compound ID |
CP0798834
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| Compound Name |
5,10-Bis(4-carboxyphenyl)-15,20-bis(4-dimethylaminophenyl)porphyrin
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| Structure |
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| Formula |
C50H40N6O4
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| Molecular Weight |
788.908
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| Canonical SMILES |
CN(C)c1ccc(-c2c3nc(c(-c4ccc(N(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(c(-c5ccc(C(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
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| InChI |
InChI=1S/C50H40N6O4/c1-55(2)35-17-13-31(14-18-35)47-41-25-23-39(52-41)45(29-5-9-33(10-6-29)49(57)58)37-21-22-38(51-37)46(30-7-11-34(12-8-30)50(59)60)40-24-26-42(53-40)48(44-28-27-43(47)54-44)32-15-19-36(20-16-32)56(3)4/h5-28,52-53H,1-4H3,(H,57,58)(H,59,60)
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| InChIKey |
ZHCCIJNKMYSLRS-UHFFFAOYSA-N
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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