General Information of the Compound
| Compound ID |
CP0863972
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| Compound Name |
(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-[(2-methylnaphthalen-1-yl)methyl]-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
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| Structure |
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| Formula |
C29H25NO7
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| Molecular Weight |
499.519
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| Canonical SMILES |
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3ccccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
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| InChI |
InChI=1S/C29H25NO7/c1-14-9-10-16-7-5-6-8-17(16)18(14)13-30-28(35)24-21(36-4)11-20(33)25-26(24)37-22-12-19(32)23(15(2)31)27(34)29(22,25)3/h5-12,32-33H,13H2,1-4H3,(H,30,35)/t29-/m1/s1
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| InChIKey |
OSTYBVSJHSXDBH-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