General Information of the Compound
| Compound ID |
CP0864255
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| Compound Name |
(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-[(2-propylnaphthalen-1-yl)methyl]-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
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| Structure |
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| Formula |
C31H29NO7
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| Molecular Weight |
527.573
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| Canonical SMILES |
CCCc1ccc2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
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| InChI |
InChI=1S/C31H29NO7/c1-5-8-17-11-12-18-9-6-7-10-19(18)20(17)15-32-30(37)26-23(38-4)13-22(35)27-28(26)39-24-14-21(34)25(16(2)33)29(36)31(24,27)3/h6-7,9-14,34-35H,5,8,15H2,1-4H3,(H,32,37)/t31-/m1/s1
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| InChIKey |
HYKNSYOVFSMIHV-WJOKGBTCSA-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