General Information of the Compound
| Compound ID |
CP0560761
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| Compound Name |
US8772323, 115
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| Structure |
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| Formula |
C17H20N4O2
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| Molecular Weight |
312.373
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| Canonical SMILES |
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)N1CCCCC1
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| InChI |
InChI=1S/C17H20N4O2/c1-11-9-15(22)19-20-16(11)12-5-6-13-14(10-12)23-17(18-13)21-7-3-2-4-8-21/h5-6,10-11H,2-4,7-9H2,1H3,(H,19,22)
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| InChIKey |
MASHTBFHVNDAPE-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