General Information of the Compound
| Compound ID |
CP0849646
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| Compound Name |
pladienolide E
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| Structure |
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| Formula |
C30H50O9
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| Molecular Weight |
554.721
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| Canonical SMILES |
CC[C@H](O)[C@](C)(O)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C
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| InChI |
InChI=1S/C30H50O9/c1-8-24(33)30(7,36)28-23(38-28)16-18(2)10-9-11-19(3)27-20(4)12-13-25(37-21(5)31)29(6,35)15-14-22(32)17-26(34)39-27/h9-11,18,20,22-25,27-28,32-33,35-36H,8,12-17H2,1-7H3/b10-9+,19-11+/t18-,20+,22-,23-,24+,25+,27-,28+,29-,30+/m1/s1
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| InChIKey |
GQCLFMWUJMNAJF-WCHPXACNSA-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