General Information of the Compound
| Compound ID |
CP0479361
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| Compound Name |
US9266877, 166
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| Structure |
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| Formula |
C36H39N7O4S
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| Molecular Weight |
665.82
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| Canonical SMILES |
COC1(Cn2nnc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
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| InChI |
InChI=1S/C36H39N7O4S/c1-22-30(40-41-43(22)21-36(47-4)17-8-16-35(2,3)20-36)25-13-14-29(38-31(25)33(45)46)42-18-15-23-9-7-10-24(26(23)19-42)32(44)39-34-37-27-11-5-6-12-28(27)48-34/h5-7,9-14H,8,15-21H2,1-4H3,(H,45,46)(H,37,39,44)
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| InChIKey |
HFGPGDMPFNZLFE-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