General Information of the Compound
| Compound ID |
CP0500373
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| Compound Name |
US8791272, 2.32
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| Structure |
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| Formula |
C22H29N3O3
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| Molecular Weight |
383.492
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)C3CCCC3)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C22H29N3O3/c1-3-19-18(13-21(26)27)20(4-2)25(24-19)14-15-9-11-17(12-10-15)23-22(28)16-7-5-6-8-16/h9-12,16H,3-8,13-14H2,1-2H3,(H,23,28)(H,26,27)
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| InChIKey |
BCWNHJSNOIJLKN-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