General Information of the Compound
| Compound ID |
CP0860084
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| Compound Name |
(S)-methyl 4-((8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamido)methyl)-2-naphthoate
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| Structure |
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| Formula |
C30H25NO9
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| Molecular Weight |
543.528
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| Canonical SMILES |
COC(=O)c1cc(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/C30H25NO9/c1-14(32)23-19(33)12-22-30(2,27(23)35)25-20(34)11-21(38-3)24(26(25)40-22)28(36)31-13-17-10-16(29(37)39-4)9-15-7-5-6-8-18(15)17/h5-12,33-34H,13H2,1-4H3,(H,31,36)/t30-/m1/s1
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| InChIKey |
VEXXUCKBZUYOCF-SSEXGKCCSA-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