General Information of the Compound
| Compound ID |
CP0398175
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| Compound Name |
(1S,2R,3R,5R,11R,12S,16S)-2,16-dimethyl-9-methylidene-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadec-7-ene-6,15-dione
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| Structure |
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| Formula |
C20H24O3
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| Molecular Weight |
312.409
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C20H24O3/c1-10-8-11-12-4-5-16(22)19(12,2)7-6-13(11)20(3)14(10)9-15(21)17-18(20)23-17/h9,11-13,17-18H,1,4-8H2,2-3H3/t11-,12-,13-,17-,18-,19-,20+/m0/s1
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| InChIKey |
ACZFVFMOZUAEEW-XXWSGHEVSA-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