General Information of the Compound
| Compound ID |
CP0504598
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| Compound Name |
1-(5-bromo-2,4-dimethoxybenzoyl)-3,4-bis(3,4-dimethoxyphenyl)pyrrole-2,5-dione
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| Structure |
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| Formula |
C29H26BrNO9
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| Molecular Weight |
612.429
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| Canonical SMILES |
COc1ccc(cc1OC)C1=C(C(=O)N(C(=O)c2cc(Br)c(OC)cc2OC)C1=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C29H26BrNO9/c1-35-19-9-7-15(11-23(19)39-5)25-26(16-8-10-20(36-2)24(12-16)40-6)29(34)31(28(25)33)27(32)17-13-18(30)22(38-4)14-21(17)37-3/h7-14H,1-6H3
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| InChIKey |
HTCPEAGZVHKZBH-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