General Information of the Compound
| Compound ID |
CP0523920
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| Compound Name |
US9266877, 148
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| Structure |
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| Formula |
C39H45N7O5S2
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| Molecular Weight |
755.967
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| Canonical SMILES |
COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
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| InChI |
InChI=1S/C39H45N7O5S2/c1-26-30(23-40-46(26)25-39(20-22-51-2)18-8-4-5-9-19-39)28-15-16-34(42-35(28)37(48)44-53(3,49)50)45-21-17-27-11-10-12-29(31(27)24-45)36(47)43-38-41-32-13-6-7-14-33(32)52-38/h6-7,10-16,23H,4-5,8-9,17-22,24-25H2,1-3H3,(H,44,48)(H,41,43,47)
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| InChIKey |
XLJBTMOBHNCGBL-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