General Information of the Compound
| Compound ID |
CP0851815
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| Compound Name |
(S)-4-((8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamido)methyl)-2-naphthoic acid
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| Structure |
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| Formula |
C29H23NO9
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| Molecular Weight |
529.501
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| Canonical SMILES |
COc1cc(O)c2c(c1C(=O)NCc1cc(C(=O)O)cc3ccccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
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| InChI |
InChI=1S/C29H23NO9/c1-13(31)22-18(32)11-21-29(2,26(22)34)24-19(33)10-20(38-3)23(25(24)39-21)27(35)30-12-16-9-15(28(36)37)8-14-6-4-5-7-17(14)16/h4-11,32-33H,12H2,1-3H3,(H,30,35)(H,36,37)/t29-/m1/s1
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| InChIKey |
DJSOVBMLIKJXNJ-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