General Information of the Compound
| Compound ID |
CP0563281
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| Compound Name |
US8853206, 82
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| Structure |
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| Formula |
C25H36N5O5+
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| Molecular Weight |
486.593
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| Canonical SMILES |
CCOc1nn2c(N)n[n+](CC(=O)c3cc(OCCCO)c(OC)c(c3)C(C)(C)C)c2cc1CC
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| InChI |
InChI=1S/C25H36N5O5/c1-7-16-14-21-29(28-24(26)30(21)27-23(16)34-8-2)15-19(32)17-12-18(25(3,4)5)22(33-6)20(13-17)35-11-9-10-31/h12-14,31H,7-11,15H2,1-6H3,(H2,26,28)/q+1
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| InChIKey |
IWIMWHWVEJPFPC-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