General Information of the Compound
| Compound ID |
CP0546517
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| Compound Name |
US8791272, 1.32
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| Structure |
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| Formula |
C18H23N3O3
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| Molecular Weight |
329.4
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc(Cn2nc(C)c(CC(O)=O)c2C)cc1
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| InChI |
InChI=1S/C18H23N3O3/c1-11(2)18(24)19-15-7-5-14(6-8-15)10-21-13(4)16(9-17(22)23)12(3)20-21/h5-8,11H,9-10H2,1-4H3,(H,19,24)(H,22,23)
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| InChIKey |
KPICICITXHNRJT-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