General Information of the Compound
| Compound ID |
CP0111452
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| Compound Name |
Kibdelomycin
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| Structure |
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| Formula |
C44H60Cl2N4O14
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| Molecular Weight |
939.884
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| Canonical SMILES |
CO[C@H]1[C@@H](OC(C)=O)[C@@H](OC(N)=O)[C@@H](C)O[C@@H]1N1[C@@H](C(C)C)C(=O)\C(=C(\O)C2[C@@H](C)C=C[C@H]3[C@@H](CCC(=C)[C@H]23)O[C@H]2C[C@@](O)([C@H](C)NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@H](O)[C@@H](C)O2)C1=O
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| InChI |
InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)
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| InChIKey |
AYDSBKMPDDZABS-UHFFFAOYSA-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