General Information of the Compound
| Compound ID |
CP0519510
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| Compound Name |
US9428456, 4.023
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| Structure |
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| Formula |
C25H34N4O3
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| Molecular Weight |
438.572
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| Canonical SMILES |
CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cc(C)c[n+]([O-])c3)c2)CC1
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| InChI |
InChI=1S/C25H34N4O3/c1-5-25(3,4)27-24(31)20-9-11-28(12-10-20)16-19-7-6-8-22(14-19)26-23(30)21-13-18(2)15-29(32)17-21/h6-8,13-15,17,20H,5,9-12,16H2,1-4H3,(H,26,30)(H,27,31)
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| InChIKey |
WIQOXFADFOKSSJ-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