General Information of the Compound
| Compound ID |
CP0849645
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| Compound Name |
pladienolide A
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| Structure |
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| Formula |
C28H48O7
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| Molecular Weight |
496.685
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| Canonical SMILES |
CC[C@H](O)[C@@H](C)[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](O)CC[C@@H]1C
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| InChI |
InChI=1S/C28H48O7/c1-7-22(30)20(5)27-23(34-27)15-17(2)9-8-10-18(3)26-19(4)11-12-24(31)28(6,33)14-13-21(29)16-25(32)35-26/h8-10,17,19-24,26-27,29-31,33H,7,11-16H2,1-6H3/b9-8+,18-10+/t17-,19+,20-,21-,22+,23-,24+,26-,27-,28-/m1/s1
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| InChIKey |
BKRRCBIYORMPBI-UTOUFFQASA-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