General Information of the Compound
| Compound ID |
CP0468183
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| Compound Name |
US10047103, 295
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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)NC3COC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H23N5O6S2/c1-35-19-7-22(20-9-24(39-23(20)8-19)21-10-33-27(31-21)41-28(32-33)36-2)38-13-18-14-40-26(30-18)16-5-3-15(4-6-16)25(34)29-17-11-37-12-17/h3-10,14,17H,11-13H2,1-2H3,(H,29,34)
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| InChIKey |
LMTWKUMBKBTVHU-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