General Information of the Compound
| Compound ID |
CP0563895
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| Compound Name |
US8912224, 96
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| Structure |
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| Formula |
C28H27N3O4S
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| Molecular Weight |
501.608
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| Canonical SMILES |
CC(C)Oc1cccc(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccncc3)ccc2O1
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| InChI |
InChI=1S/C28H27N3O4S/c1-18(2)33-22-5-3-4-20(14-22)24-8-6-21-15-23(7-9-25(21)35-24)34-28-31-17-26(36-28)27(32)30-16-19-10-12-29-13-11-19/h3-5,7,9-15,17-18,24H,6,8,16H2,1-2H3,(H,30,32)
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| InChIKey |
LREKBJUXPMFWRE-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