General Information of the Compound
| Compound ID |
CP0462661
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| Compound Name |
US8791272, 2.57
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| Structure |
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| Formula |
C24H21N3O3
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| Molecular Weight |
399.45
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)cc1CC(O)=O
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| InChI |
InChI=1S/C24H21N3O3/c1-16-21(13-23(28)29)15-27(26-16)14-17-6-10-22(11-7-17)25-24(30)20-9-8-18-4-2-3-5-19(18)12-20/h2-12,15H,13-14H2,1H3,(H,25,30)(H,28,29)
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| InChIKey |
KKABFBQFDHCQRF-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