General Information of the Compound
| Compound ID |
CP0858717
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| Compound Name |
(S)-4-((8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamido)methyl)naphthalen-2-yl acetate
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| Structure |
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| Formula |
C30H25NO9
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| Molecular Weight |
543.528
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| Canonical SMILES |
COc1cc(O)c2c(c1C(=O)NCc1cc(OC(C)=O)cc3ccccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
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| InChI |
InChI=1S/C30H25NO9/c1-14(32)24-20(34)12-23-30(3,28(24)36)26-21(35)11-22(38-4)25(27(26)40-23)29(37)31-13-17-10-18(39-15(2)33)9-16-7-5-6-8-19(16)17/h5-12,34-35H,13H2,1-4H3,(H,31,37)/t30-/m1/s1
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| InChIKey |
GBGBEPNHQREJDZ-SSEXGKCCSA-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