General Information of the Compound
| Compound ID |
CP0846153
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| Compound Name |
pladienolide B
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| Structure |
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| Formula |
C30H50O8
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| Molecular Weight |
538.722
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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](OC(C)=O)CC[C@@H]1C
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| InChI |
InChI=1S/C30H50O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-11,18,20-21,23-26,28-29,32-33,35H,8,12-17H2,1-7H3/b10-9+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1
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| InChIKey |
DPHYBDPQSYADQH-YUPCCALRSA-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