General Information of the Compound
| Compound ID |
CP0544804
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| Compound Name |
3,4-bis(3,4-dimethoxyphenyl)-1-[4-[2-(4-methylsulfonylphenyl)-2-oxoethyl]piperazine-1-carbonyl]pyrrole-2,5-dione
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| Structure |
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| Formula |
C34H35N3O10S
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| Molecular Weight |
677.732
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| Canonical SMILES |
COc1ccc(cc1OC)C1=C(C(=O)N(C(=O)N2CCN(CC(=O)c3ccc(cc3)S(C)(=O)=O)CC2)C1=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C34H35N3O10S/c1-44-26-12-8-22(18-28(26)46-3)30-31(23-9-13-27(45-2)29(19-23)47-4)33(40)37(32(30)39)34(41)36-16-14-35(15-17-36)20-25(38)21-6-10-24(11-7-21)48(5,42)43/h6-13,18-19H,14-17,20H2,1-5H3
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| InChIKey |
XMYVDRYGHRTUHS-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