General Information of the Compound
| Compound ID |
CP0539137
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| Compound Name |
US9266877, 113
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| Structure |
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| Formula |
C36H34N4O4S
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| Molecular Weight |
618.759
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| Canonical SMILES |
Cc1cc(OC2CCCCC2)ccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C36H34N4O4S/c1-22-20-25(44-24-9-3-2-4-10-24)14-15-26(22)27-16-17-32(38-33(27)35(42)43)40-19-18-23-8-7-11-28(29(23)21-40)34(41)39-36-37-30-12-5-6-13-31(30)45-36/h5-8,11-17,20,24H,2-4,9-10,18-19,21H2,1H3,(H,42,43)(H,37,39,41)
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| InChIKey |
YLOKXSOZVCIHGX-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