General Information of the Compound
| Compound ID |
CP0379373
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| Compound Name |
Acetic acid (3Z,9E)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylene-18-oxo-17-aza-tricyclo[9.7.0.0*1,15*]octadeca-3,9-dien-2-yl ester
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| Structure |
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| Formula |
C30H39NO5
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| Molecular Weight |
493.644
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| Canonical SMILES |
CC1C2C(Cc3ccccc3)NC(=O)C22C(\C=C\CC(C)CC(C)(O)\C=C/C2OC(C)=O)C(O)C1=C
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| InChI |
InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14-
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| InChIKey |
NAEWXXDGBKTIMN-WISUYLHISA-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