General Information of the Compound
| Compound ID |
CP0443114
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| Compound Name |
US8853206, 72
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| Structure |
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| Formula |
C27H39N6O4+
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| Molecular Weight |
511.647
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| Canonical SMILES |
CCOc1nn2c(NC)n[n+](CC(=O)c3cc(N4CCOCC4)c(OC)c(c3)C(C)(C)C)c2c(C)c1C
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| InChI |
InChI=1S/C27H39N6O4/c1-9-37-24-17(2)18(3)25-32(30-26(28-7)33(25)29-24)16-22(34)19-14-20(27(4,5)6)23(35-8)21(15-19)31-10-12-36-13-11-31/h14-15H,9-13,16H2,1-8H3,(H,28,30)/q+1
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| InChIKey |
CUWIORLZDRIFJO-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