General Information of the Compound
| Compound ID |
CP0410578
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| Compound Name |
US8853206, 54
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| Structure |
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| Formula |
C25H36N5O4+
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| Molecular Weight |
470.594
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| Canonical SMILES |
CCC(CC)Oc1ccc2[n+](CC(=O)c3cc(OCCOC)cc(c3)C(C)(C)C)nc(N)n2n1
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| InChI |
InChI=1S/C25H36N5O4/c1-7-19(8-2)34-22-9-10-23-29(28-24(26)30(23)27-22)16-21(31)17-13-18(25(3,4)5)15-20(14-17)33-12-11-32-6/h9-10,13-15,19H,7-8,11-12,16H2,1-6H3,(H2,26,28)/q+1
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| InChIKey |
VNGQUWHQKYVJDP-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