General Information of the Compound
| Compound ID |
CP0535668
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| Compound Name |
US9464076, 17
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| Structure |
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| Formula |
C26H26N2O3S
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| Molecular Weight |
446.572
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| Canonical SMILES |
CCCC(=O)c1cccc2c(C)c(sc12)C(=O)Nc1cc(c2ccccc2n1)C(C)(C)O
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| InChI |
InChI=1S/C26H26N2O3S/c1-5-9-21(29)18-12-8-11-16-15(2)23(32-24(16)18)25(30)28-22-14-19(26(3,4)31)17-10-6-7-13-20(17)27-22/h6-8,10-14,31H,5,9H2,1-4H3,(H,27,28,30)
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| InChIKey |
PFOQBBWCHNZPHG-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