General Information of the Compound
| Compound ID |
CP0426615
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| Compound Name |
US8791272, 2.23
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| Structure |
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)c3ccccc3CC)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C25H29N3O3/c1-4-18-9-7-8-10-20(18)25(31)26-19-13-11-17(12-14-19)16-28-23(6-3)21(15-24(29)30)22(5-2)27-28/h7-14H,4-6,15-16H2,1-3H3,(H,26,31)(H,29,30)
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| InChIKey |
XFTVWAISMGQEGK-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