General Information of the Compound
| Compound ID |
CP0558650
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| Compound Name |
US10022354, Example 58
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| Structure |
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| Formula |
C17H24N6O2
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| Molecular Weight |
344.419
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)C(=O)NCc1cnn(C)c1
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| InChI |
InChI=1S/C17H24N6O2/c1-11(2)14-6-15(21-20-14)17(25)23-5-4-13(10-23)16(24)18-7-12-8-19-22(3)9-12/h6,8-9,11,13H,4-5,7,10H2,1-3H3,(H,18,24)(H,20,21)
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| InChIKey |
CQMZJIILHVIKFH-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