General Information of the Compound
| Compound ID |
CP0474786
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| Compound Name |
US9862730, Example 80
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| Structure |
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| Formula |
C19H20N4O2S
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| Molecular Weight |
368.462
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| Canonical SMILES |
CCc1nn2cc(nc2s1)-c1nc2ccc(OC3CCCCC3)cc2o1
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| InChI |
InChI=1S/C19H20N4O2S/c1-2-17-22-23-11-15(21-19(23)26-17)18-20-14-9-8-13(10-16(14)25-18)24-12-6-4-3-5-7-12/h8-12H,2-7H2,1H3
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| InChIKey |
NJCPBWSOCCVXPR-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