General Information of the Compound
| Compound ID |
CP0574347
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| Compound Name |
3,4-bis(3,4-dimethoxyphenyl)-1-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-2-oxoethyl]piperazine-1-carbonyl]pyrrole-2,5-dione
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| Structure |
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| Formula |
C41H41N3O10
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| Molecular Weight |
735.79
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| Canonical SMILES |
COc1ccc(cc1OC)C1=C(C(=O)N(C(=O)N2CCN(CC(=O)c3ccc(OCc4ccccc4)c(OC)c3)CC2)C1=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C41H41N3O10/c1-49-31-14-12-28(22-34(31)51-3)37-38(29-13-15-32(50-2)35(23-29)52-4)40(47)44(39(37)46)41(48)43-19-17-42(18-20-43)24-30(45)27-11-16-33(36(21-27)53-5)54-25-26-9-7-6-8-10-26/h6-16,21-23H,17-20,24-25H2,1-5H3
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| InChIKey |
NUFULRRJUQGIJH-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