General Information of the Compound
| Compound ID |
CP0466593
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| Compound Name |
US8791272, 2.34
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| Structure |
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| Formula |
C20H27N3O3
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| Molecular Weight |
357.454
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)C(C)C)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C20H27N3O3/c1-5-17-16(11-19(24)25)18(6-2)23(22-17)12-14-7-9-15(10-8-14)21-20(26)13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,21,26)(H,24,25)
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| InChIKey |
NYFATVHCBIDEIL-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