General Information of the Compound
| Compound ID |
CP0550817
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| Compound Name |
US10047103, 109
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| Structure |
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| Formula |
C28H31N5O6S2
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| Molecular Weight |
597.719
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3CCN(CC3)C(=O)OC(C)(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H31N5O6S2/c1-28(2,3)39-27(34)32-8-6-16(7-9-32)24-29-17(15-40-24)14-37-21-10-18(35-4)11-22-19(21)12-23(38-22)20-13-33-25(30-20)41-26(31-33)36-5/h10-13,15-16H,6-9,14H2,1-5H3
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| InChIKey |
PIBYFSXOIZTMDE-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