General Information of the Compound
| Compound ID |
CP0434844
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| Compound Name |
4-[5-[(11R,12R,13R,14S)-15,15-dimethyl-9-oxo-13-propan-2-yl-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-12-yl]-2-methoxyphenoxy]-4-oxobutanoic acid
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| Structure |
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| Formula |
C30H33NO7
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| Molecular Weight |
519.594
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| Canonical SMILES |
COc1ccc(cc1OC(=O)CCC(O)=O)[C@@H]1[C@@H](C(C)C)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C30H33NO7/c1-15(2)23-24(16-10-11-19(36-5)20(14-16)37-22(34)13-12-21(32)33)25-26-28(38-30(3,4)27(23)25)17-8-6-7-9-18(17)31-29(26)35/h6-11,14-15,23-25,27H,12-13H2,1-5H3,(H,31,35)(H,32,33)/t23-,24-,25+,27+/m1/s1
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| InChIKey |
WGYZJGMRFVMTHL-QUUPDEESSA-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