General Information of the Compound
| Compound ID |
CP0412868
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| Compound Name |
[(1R,2S,3S,5R,8R,11R,12R)-5-(furan-3-yl)-3,11-dimethyl-7,13-dioxo-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-en-12-yl] acetate
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| Structure |
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| Formula |
C22H24O7
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| Molecular Weight |
400.427
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| Canonical SMILES |
CC(=O)O[C@@]12C=C[C@@H](OC1=O)[C@H]1[C@]3(C)C[C@@H](OC(=O)[C@@H]3CC[C@@]21C)c1ccoc1
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| InChI |
InChI=1S/C22H24O7/c1-12(23)29-22-8-5-15(28-19(22)25)17-20(2)10-16(13-6-9-26-11-13)27-18(24)14(20)4-7-21(17,22)3/h5-6,8-9,11,14-17H,4,7,10H2,1-3H3/t14-,15+,16+,17-,20+,21+,22-/m0/s1
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| InChIKey |
UUHRMTJTFIRKDD-YPIPWNFISA-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