General Information of the Compound
| Compound ID |
CP0559039
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| Compound Name |
3-[5-[4-[4-[2-(3-cyanophenyl)-1,3-dioxo-4,6,7-triphenylisoindol-5-yl]phenyl]sulfanylphenyl]-1,3-dioxo-4,6,7-triphenylinden-2-yl]benzonitrile
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| Structure |
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| Formula |
C79H47N3O4S
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| Molecular Weight |
1134.329
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| Canonical SMILES |
O=C1C(C(=O)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccc(Sc3ccc(cc3)-c3c(c4C(=O)N(C(=O)c4c(-c4ccccc4)c3-c3ccccc3)c3cccc(c3)C#N)-c3ccccc3)cc1)c2-c1ccccc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C79H47N3O4S/c80-47-49-21-19-35-59(45-49)71-76(83)72-67(53-27-11-3-12-28-53)63(51-23-7-1-8-24-51)65(68(73(72)77(71)84)54-29-13-4-14-30-54)57-37-41-61(42-38-57)87-62-43-39-58(40-44-62)66-64(52-25-9-2-10-26-52)69(55-31-15-5-16-32-55)74-75(70(66)56-33-17-6-18-34-56)79(86)82(78(74)85)60-36-20-22-50(46-60)48-81/h1-46,71H
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| InChIKey |
FNPJCDRMPWNGMO-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