General Information of the Compound
| Compound ID |
CP0447048
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| Compound Name |
US10022354, Example 27
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| Structure |
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| Formula |
C13H20N4O2
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| Molecular Weight |
264.329
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(C)=O
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| InChI |
InChI=1S/C13H20N4O2/c1-8(2)11-6-12(16-15-11)13(19)17-5-4-10(7-17)14-9(3)18/h6,8,10H,4-5,7H2,1-3H3,(H,14,18)(H,15,16)
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| InChIKey |
VJWRGFIQVSUBPB-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