General Information of the Compound
| Compound ID |
CP0530740
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| Compound Name |
(3S,6S,11aS)-7,8,10-trimethoxy-9-methyl-6-[(E)-2-phenylethenyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
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| Structure |
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| Formula |
C35H40N2O8
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| Molecular Weight |
616.711
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| Canonical SMILES |
COc1cc(C[C@@H]2NC(=O)[C@@H]3Cc4c(OC)c(C)c(OC)c(OC)c4[C@H](\C=C\c4ccccc4)N3C2=O)c(OC)c(C)c1OC
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| InChI |
InChI=1S/C35H40N2O8/c1-19-29(41-4)22(17-27(40-3)31(19)43-6)16-24-35(39)37-25(15-14-21-12-10-9-11-13-21)28-23(18-26(37)34(38)36-24)30(42-5)20(2)32(44-7)33(28)45-8/h9-15,17,24-26H,16,18H2,1-8H3,(H,36,38)/b15-14+/t24-,25-,26-/m0/s1
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| InChIKey |
UVOFDSDGSMYOCU-LCSMTBIFSA-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