General Information of the Compound
| Compound ID |
CP0572294
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| Compound Name |
US10323013, Compound 37
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| Structure |
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| Formula |
C21H21NO7
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| Molecular Weight |
399.399
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| Canonical SMILES |
CCOC(=O)C=Cc1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C
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| InChI |
InChI=1S/C21H21NO7/c1-3-11-28-21(26)22-10-9-13-14-5-7-17(23)15(6-8-18(24)27-4-2)19(14)29-20(25)16(13)12-22/h3,5-8,23H,1,4,9-12H2,2H3/b8-6+
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| InChIKey |
FAIBBTYZEZBWKU-SOFGYWHQSA-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