General Information of the Compound
| Compound ID |
CP0507036
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| Compound Name |
Midecamycin
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| Structure |
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| Formula |
C41H67NO15
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| Molecular Weight |
813.979
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| Canonical SMILES |
CCOC(=O)[C@@H]1CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@H]1OC
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| InChI |
InChI=1S/C41H67NO15/c1-11-30(45)55-38-26(6)53-32(22-41(38,7)49)56-35-25(5)54-40(34(47)33(35)42(8)9)57-36-27(18-19-43)20-23(3)29(44)17-15-13-14-16-24(4)52-31(46)21-28(37(36)50-10)39(48)51-12-2/h13-15,17,19,23-29,32-38,40,44,47,49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28-,29+,32+,33-,34-,35-,36+,37+,38+,40+,41-/m1/s1
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| InChIKey |
NGNBWGMTPDSDCJ-QDFUUMMMSA-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