General Information of the Compound
| Compound ID |
CP0407497
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| Compound Name |
US9862730, Example 64
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| Structure |
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| Formula |
C18H19N3O2S
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| Molecular Weight |
341.436
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| Canonical SMILES |
CCCCOc1cccc2cc(oc12)-c1cn2nc(CC)sc2n1
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| InChI |
InChI=1S/C18H19N3O2S/c1-3-5-9-22-14-8-6-7-12-10-15(23-17(12)14)13-11-21-18(19-13)24-16(4-2)20-21/h6-8,10-11H,3-5,9H2,1-2H3
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| InChIKey |
FDQAFEIGEVFLCQ-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