General Information of the Compound
| Compound ID |
CP0392082
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| Compound Name |
US8618114, 1.2.12(11)
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| Structure |
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| Formula |
C19H26N6O2S
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| Molecular Weight |
402.524
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| Canonical SMILES |
CNc1nn2c(cc(C)nc2c1S(=O)(=O)c1ccccc1)N(C)CCN(C)C
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| InChI |
InChI=1S/C19H26N6O2S/c1-14-13-16(24(5)12-11-23(3)4)25-19(21-14)17(18(20-2)22-25)28(26,27)15-9-7-6-8-10-15/h6-10,13H,11-12H2,1-5H3,(H,20,22)
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| InChIKey |
REDBHGYNLKZFKJ-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