General Information of the Compound
| Compound ID |
CP0561541
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| Compound Name |
US9340555, 29
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| Structure |
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| Formula |
C36H39F2N7O6S
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| Molecular Weight |
735.814
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| Canonical SMILES |
CCOC(=O)CN1CCN(CC1)C(=O)CN1CCN(CC1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1
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| InChI |
InChI=1S/C36H39F2N7O6S/c1-3-50-33(47)22-43-10-14-44(15-11-43)32(46)21-42-12-16-45(17-13-42)35(48)31-20-29-34(52-31)30(8-9-39-29)51-24-5-7-27(26(38)19-24)40-36(49)41-28-18-23(2)4-6-25(28)37/h4-9,18-20H,3,10-17,21-22H2,1-2H3,(H2,40,41,49)
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| InChIKey |
QKIHSGVZMXIBJB-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