General Information of the Compound
| Compound ID |
CP0441919
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| Compound Name |
US9469631, 7
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| Structure |
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| Formula |
C23H28N4O6
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| Molecular Weight |
456.499
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(-c2cnco2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H28N4O6/c1-23(2,3)33-22(29)25-10-8-17(9-11-25)26(16-5-6-16)21(28)15-4-7-18(19(12-15)27(30)31)20-13-24-14-32-20/h4,7,12-14,16-17H,5-6,8-11H2,1-3H3
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| InChIKey |
LZBGYPDOPIZORL-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