General Information of the Compound
| Compound ID |
CP0480934
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| Compound Name |
US8853206, 29
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| Structure |
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| Formula |
C26H38N5O4+
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| Molecular Weight |
484.621
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| Canonical SMILES |
CCOc1cc(cc(c1OCC)C(C)(C)C)C(=O)C[n+]1nc(N)n2nc(OC(CC)CC)ccc12
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| InChI |
InChI=1S/C26H38N5O4/c1-8-18(9-2)35-22-12-13-23-30(29-25(27)31(23)28-22)16-20(32)17-14-19(26(5,6)7)24(34-11-4)21(15-17)33-10-3/h12-15,18H,8-11,16H2,1-7H3,(H2,27,29)/q+1
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| InChIKey |
RZSRFIIQUHKHCT-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