General Information of the Compound
| Compound ID |
CP0545422
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| Compound Name |
US10047103, 290
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| Structure |
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| Formula |
C28H23N5O6S2
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| Molecular Weight |
589.655
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N3CC(O)C3)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H23N5O6S2/c1-36-19-7-22(20-9-24(39-23(20)8-19)21-12-33-27(30-21)41-28(31-33)37-2)38-13-17-14-40-25(29-17)15-3-5-16(6-4-15)26(35)32-10-18(34)11-32/h3-9,12,14,18,34H,10-11,13H2,1-2H3
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| InChIKey |
YDJHQQXTMXHYME-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