General Information of the Compound
| Compound ID |
CP0561228
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| Compound Name |
US10022354, Example 52
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| Structure |
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| Formula |
C16H20N4O2
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| Molecular Weight |
300.362
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)Oc1ccccn1
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| InChI |
InChI=1S/C16H20N4O2/c1-11(2)13-9-14(19-18-13)16(21)20-8-6-12(10-20)22-15-5-3-4-7-17-15/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,18,19)
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| InChIKey |
ZYHBEOXHPDWBGM-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