General Information of the Compound
| Compound ID |
CP0551942
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| Compound Name |
(3S,6S)-3,6-bis[(2,4,5-trimethoxy-3-methylphenyl)methyl]piperazine-2,5-dione
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| Structure |
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| Formula |
C26H34N2O8
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| Molecular Weight |
502.564
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| Canonical SMILES |
COc1cc(C[C@@H]2NC(=O)[C@H](Cc3cc(OC)c(OC)c(C)c3OC)NC2=O)c(OC)c(C)c1OC
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| InChI |
InChI=1S/C26H34N2O8/c1-13-21(33-5)15(11-19(31-3)23(13)35-7)9-17-25(29)28-18(26(30)27-17)10-16-12-20(32-4)24(36-8)14(2)22(16)34-6/h11-12,17-18H,9-10H2,1-8H3,(H,27,30)(H,28,29)/t17-,18-/m0/s1
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| InChIKey |
JXLPVHHVIQOOPM-ROUUACIJSA-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