General Information of the Compound
| Compound ID |
CP0542878
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| Compound Name |
(3S,7E,8S,8aS)-2-acetyl-7-[(4-hydroxy-3-methoxyphenyl)methylidene]-8-(7-methoxy-1,3-benzodioxol-5-yl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one
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| Structure |
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| Formula |
C34H34N2O10
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| Molecular Weight |
630.65
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| Canonical SMILES |
COc1cc(C[C@H]2CN3[C@H](CN2C(C)=O)[C@H](\C(=C/c2ccc(O)c(OC)c2)C3=O)c2cc3OCOc3c(OC)c2)cc2OCOc12
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| InChI |
InChI=1S/C34H34N2O10/c1-18(37)35-15-24-31(21-12-28(42-4)33-30(13-21)44-17-46-33)23(8-19-5-6-25(38)26(9-19)40-2)34(39)36(24)14-22(35)7-20-10-27(41-3)32-29(11-20)43-16-45-32/h5-6,8-13,22,24,31,38H,7,14-17H2,1-4H3/b23-8+/t22-,24+,31-/m0/s1
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| InChIKey |
SGIIYQJPAYJJDV-PALQICBKSA-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