General Information of the Compound
| Compound ID |
CP0431339
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| Compound Name |
US8618114, 1.2.12(4).HCl
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| Structure |
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| Formula |
C19H24N6O2S
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| Molecular Weight |
400.508
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| Canonical SMILES |
CNc1nn2c(cc(C)nc2c1S(=O)(=O)c1ccccc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C19H24N6O2S/c1-14-13-16(24-11-9-23(3)10-12-24)25-19(21-14)17(18(20-2)22-25)28(26,27)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,20,22)
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| InChIKey |
JOLFFOZBRXYKJV-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