General Information of the Compound
| Compound ID |
CP0546813
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| Compound Name |
US8791272, 2.5
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| Structure |
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| Formula |
C23H24ClN3O3
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| Molecular Weight |
425.916
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H24ClN3O3/c1-3-20-19(13-22(28)29)21(4-2)27(26-20)14-15-5-11-18(12-6-15)25-23(30)16-7-9-17(24)10-8-16/h5-12H,3-4,13-14H2,1-2H3,(H,25,30)(H,28,29)
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| InChIKey |
KDCKOQHZMGRPCD-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