General Information of the Compound
| Compound ID |
CP0545421
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| Compound Name |
US10047103, 289
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| Structure |
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| Formula |
C28H23N5O5S2
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| Molecular Weight |
573.656
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N3CCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H23N5O5S2/c1-35-19-10-22(20-12-24(38-23(20)11-19)21-13-33-27(30-21)40-28(31-33)36-2)37-14-18-15-39-25(29-18)16-4-6-17(7-5-16)26(34)32-8-3-9-32/h4-7,10-13,15H,3,8-9,14H2,1-2H3
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| InChIKey |
SPLMZYMAXQXOEB-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