General Information of the Compound
| Compound ID |
CP0466594
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| Compound Name |
US8791272, 2.35
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)c3ccccc3C3CC3)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C26H29N3O3/c1-3-23-22(15-25(30)31)24(4-2)29(28-23)16-17-9-13-19(14-10-17)27-26(32)21-8-6-5-7-20(21)18-11-12-18/h5-10,13-14,18H,3-4,11-12,15-16H2,1-2H3,(H,27,32)(H,30,31)
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| InChIKey |
RYKBTEPJFSWASE-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