General Information of the Compound
| Compound ID |
CP0924816
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| Compound Name |
(S)-3-(4-((8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamido)methyl)naphthalen-2-yl)propanoic acid
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| Structure |
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| Formula |
C31H27NO9
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| Molecular Weight |
557.555
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| Canonical SMILES |
COc1cc(O)c2c(c1C(=O)NCc1cc(CCC(=O)O)cc3ccccc13)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
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| InChI |
InChI=1S/C31H27NO9/c1-15(33)25-20(34)13-23-31(2,29(25)38)27-21(35)12-22(40-3)26(28(27)41-23)30(39)32-14-18-11-16(8-9-24(36)37)10-17-6-4-5-7-19(17)18/h4-7,10-13,34-35H,8-9,14H2,1-3H3,(H,32,39)(H,36,37)/t31-/m1/s1
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| InChIKey |
VVDQGDUIBYVXIC-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