General Information of the Compound
| Compound ID |
CP0558171
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| Compound Name |
US9586948, Example 34
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| Structure |
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| Formula |
C26H32N8O2
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| Molecular Weight |
488.596
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| Canonical SMILES |
CN1CCC(CNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)C1
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| InChI |
InChI=1S/C26H32N8O2/c1-33-11-9-18(15-33)14-29-26(36)24-22(16-34(2)32-24)31-25(35)21-5-3-4-20(30-21)19-8-10-27-23(12-19)28-13-17-6-7-17/h3-5,8,10,12,16-18H,6-7,9,11,13-15H2,1-2H3,(H,27,28)(H,29,36)(H,31,35)
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| InChIKey |
CBTKTWWAATUWBH-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