General Information of the Compound
| Compound ID |
CP0254042
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| Compound Name |
(1S,2S,5S,6S,9S,10R,15S)-6-hydroxy-5-methyl-16-oxapentacyclo[13.3.2.0^{1,13}.0^{2,10}.0^{5,9}]icos-12-en-17-one
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| Structure |
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| Formula |
C20H28O3
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| Molecular Weight |
316.441
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CC(=O)O5)[C@@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C20H28O3/c1-19-8-7-16-14(15(19)4-5-17(19)21)3-2-12-10-13-6-9-20(12,16)11-18(22)23-13/h2,13-17,21H,3-11H2,1H3/t13-,14-,15-,16-,17-,19-,20+/m0/s1
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| InChIKey |
OWEPYNBKZRBVME-JYLNUJPASA-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