General Information of the Compound
| Compound ID |
CP0517787
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| Compound Name |
US10022354, Example 71
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| Structure |
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| Formula |
C22H25N5O
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| Molecular Weight |
375.476
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cccnc1
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| InChI |
InChI=1S/C22H25N5O/c1-14(2)19-11-21(26-25-19)22(28)27-8-6-17(13-27)20-10-18(9-15(3)24-20)16-5-4-7-23-12-16/h4-5,7,9-12,14,17H,6,8,13H2,1-3H3,(H,25,26)
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| InChIKey |
CKMKMCGQKLICGJ-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