General Information of the Compound
| Compound ID |
CP0534810
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| Compound Name |
MLS-0435428.0001
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| Structure |
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| Formula |
C22H24N4O3S
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| Molecular Weight |
424.526
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| Canonical SMILES |
CC1CCN(CC1)c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
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| InChI |
InChI=1S/C22H24N4O3S/c1-13-5-7-26(8-6-13)20-18-14(2)19(30-22(18)24-12-23-20)21(27)25-15-3-4-16-17(11-15)29-10-9-28-16/h3-4,11-13H,5-10H2,1-2H3,(H,25,27)
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| InChIKey |
HWJXUUMJOXMQQT-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