General Information of the Compound
| Compound ID |
CP0473523
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| Compound Name |
(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-6-[4-[(3-chloro-4-hydroxyphenyl)sulfanylmethyl]phenyl]-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-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 |
C35H35ClF2O7S
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| Molecular Weight |
673.174
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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(CSc2ccc(O)c(Cl)c2)cc1
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| InChI |
InChI=1S/C35H35ClF2O7S/c1-32-10-9-20(40)11-24(32)26(37)13-23-22-14-30-35(29(43)16-39,33(22,2)15-28(42)34(23,32)38)45-31(44-30)19-5-3-18(4-6-19)17-46-21-7-8-27(41)25(36)12-21/h3-12,22-23,26,28,30-31,39,41-42H,13-17H2,1-2H3/t22-,23-,26-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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| InChIKey |
ZATOZIJKFQYMEH-IZPVIQOYSA-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