General Information of the Compound
| Compound ID |
CP0480936
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| Compound Name |
US8853206, 60
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| Structure |
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| Formula |
C24H33N6O3+
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| Molecular Weight |
453.567
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| Canonical SMILES |
CCc1ccc2[n+](CC(=O)c3cc(N4CCOCC4)c(OC)c(c3)C(C)(C)C)nc(N)n2n1
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| InChI |
InChI=1S/C24H33N6O3/c1-6-17-7-8-21-29(27-23(25)30(21)26-17)15-20(31)16-13-18(24(2,3)4)22(32-5)19(14-16)28-9-11-33-12-10-28/h7-8,13-14H,6,9-12,15H2,1-5H3,(H2,25,27)/q+1
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| InChIKey |
CXZOVWJMEFFQOW-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