General Information of the Compound
| Compound ID |
CP0473522
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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-(3-methylsulfanylphenyl)sulfanylphenyl]-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 |
C35H36F2O6S2
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| Molecular Weight |
654.797
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| Canonical SMILES |
CSc1cccc(Sc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)c1
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| InChI |
InChI=1S/C35H36F2O6S2/c1-32-12-11-20(39)13-26(32)27(36)15-25-24-16-30-35(29(41)18-38,33(24,2)17-28(40)34(25,32)37)43-31(42-30)19-7-9-21(10-8-19)45-23-6-4-5-22(14-23)44-3/h4-14,24-25,27-28,30-31,38,40H,15-18H2,1-3H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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| InChIKey |
HOYVAXGUMWVTKK-BFQQSILCSA-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