General Information of the Compound
| Compound ID |
CP0048963
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| Compound Name |
(3S,5R)-5-bromo-16-hydroxy-14-methoxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione
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| Structure |
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| Formula |
C19H25BrO5
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| Molecular Weight |
413.308
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| Canonical SMILES |
COc1cc(O)c2c(CCCCCC(=O)C[C@H](Br)C[C@H](C)OC2=O)c1
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| InChI |
InChI=1S/C19H25BrO5/c1-12-8-14(20)10-15(21)7-5-3-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h9,11-12,14,22H,3-8,10H2,1-2H3/t12-,14+/m0/s1
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| InChIKey |
HZJBJCWWHLYIKV-GXTWGEPZSA-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