General Information of the Compound
| Compound ID |
CP0506275
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| Compound Name |
(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-(4-phenoxyphenyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
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| Structure |
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| Formula |
C34H34F2O7
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| Molecular Weight |
592.635
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C34H34F2O7/c1-31-13-12-20(38)14-25(31)26(35)15-24-23-16-29-34(28(40)18-37,32(23,2)17-27(39)33(24,31)36)43-30(42-29)19-8-10-22(11-9-19)41-21-6-4-3-5-7-21/h3-14,23-24,26-27,29-30,37,39H,15-18H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
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| InChIKey |
ULTBXOUMLVWMNB-APTODLHGSA-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