General Information of the Compound
| Compound ID |
CP0868217
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| Compound Name |
(S)-8-acetyl-1,7-dihydroxy-3-methoxy-N-((3-methoxynaphthalen-1-yl)methyl)-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
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| Structure |
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| Formula |
C29H25NO8
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| Molecular Weight |
515.518
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| Canonical SMILES |
COc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1
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| InChI |
InChI=1S/C29H25NO8/c1-14(31)23-19(32)12-22-29(2,27(23)34)25-20(33)11-21(37-4)24(26(25)38-22)28(35)30-13-16-10-17(36-3)9-15-7-5-6-8-18(15)16/h5-12,32-33H,13H2,1-4H3,(H,30,35)/t29-/m1/s1
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| InChIKey |
RVHTZJHRUXAALA-GDLZYMKVSA-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