General Information of the Compound
| Compound ID |
CP0541352
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| Compound Name |
4,5,6,7-tetrachloro-2-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C21H10Cl4N2O2
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| Molecular Weight |
464.135
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| Canonical SMILES |
Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1ccccc1\C=C\c1ccncc1
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| InChI |
InChI=1S/C21H10Cl4N2O2/c22-16-14-15(17(23)19(25)18(16)24)21(29)27(20(14)28)13-4-2-1-3-12(13)6-5-11-7-9-26-10-8-11/h1-10H/b6-5+
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| InChIKey |
YAJRAHXZNPLUDN-AATRIKPKSA-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