General Information of the Compound
| Compound ID |
CP0849745
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| Compound Name |
(9aS)-8-acetyl-N-[(5-chloro-2-methylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
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| Structure |
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| Formula |
C29H24ClNO7
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| Molecular Weight |
533.964
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| Canonical SMILES |
COc1cc(O)c2c(c1C(=O)NCc1c(C)ccc3c(Cl)cccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
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| InChI |
InChI=1S/C29H24ClNO7/c1-13-8-9-16-15(6-5-7-18(16)30)17(13)12-31-28(36)24-21(37-4)10-20(34)25-26(24)38-22-11-19(33)23(14(2)32)27(35)29(22,25)3/h5-11,33-34H,12H2,1-4H3,(H,31,36)/t29-/m1/s1
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| InChIKey |
UWUVZKFRTHKFGR-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