General Information of the Compound
| Compound ID |
CP0479910
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| Compound Name |
(1S,2R,6S,8S,11S,12S,15S,16S)-4-(benzenesulfonyl)-15-hydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
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| Structure |
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| Formula |
C25H32O5S
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| Molecular Weight |
444.593
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)C(C[C@]35C)S(=O)(=O)c3ccccc3)[C@@H]1CC[C@@H]2O
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| InChI |
InChI=1S/C25H32O5S/c1-23-12-11-18-16(17(23)8-9-20(23)26)10-13-25-22(30-25)21(27)19(14-24(18,25)2)31(28,29)15-6-4-3-5-7-15/h3-7,16-20,22,26H,8-14H2,1-2H3/t16-,17-,18-,19?,20-,22+,23-,24+,25+/m0/s1
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| InChIKey |
ADLACKZUGJSPFQ-YZXIWTBGSA-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