General Information of the Compound
| Compound ID |
CP0907106
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| Compound Name |
(9aS)-8-acetyl-N-[(2-butylnaphthalen-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 |
C32H31NO7
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| Molecular Weight |
541.6
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| Canonical SMILES |
CCCCc1ccc2ccccc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
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| InChI |
InChI=1S/C32H31NO7/c1-5-6-9-19-13-12-18-10-7-8-11-20(18)21(19)16-33-31(38)27-24(39-4)14-23(36)28-29(27)40-25-15-22(35)26(17(2)34)30(37)32(25,28)3/h7-8,10-15,35-36H,5-6,9,16H2,1-4H3,(H,33,38)/t32-/m1/s1
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| InChIKey |
UUQIELYOJRQZIE-JGCGQSQUSA-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