General Information of the Compound
| Compound ID |
CP0555685
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| Compound Name |
US8853206, 46
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| Structure |
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| Formula |
C22H30N5O3+
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| Molecular Weight |
412.514
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| Canonical SMILES |
CCC(CC)Oc1ccc2[n+](CC(=O)c3cc(OC)cc(c3)C(C)C)nc(N)n2n1
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| InChI |
InChI=1S/C22H30N5O3/c1-6-17(7-2)30-20-8-9-21-26(25-22(23)27(21)24-20)13-19(28)16-10-15(14(3)4)11-18(12-16)29-5/h8-12,14,17H,6-7,13H2,1-5H3,(H2,23,25)/q+1
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| InChIKey |
MCBQXBBFUFTWOE-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