General Information of the Compound
| Compound ID |
CP0415255
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| Compound Name |
US8791272, 2.31
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| Structure |
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| Formula |
C21H27N3O3
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| Molecular Weight |
369.465
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)C3CCC3)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C21H27N3O3/c1-3-18-17(12-20(25)26)19(4-2)24(23-18)13-14-8-10-16(11-9-14)22-21(27)15-6-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H,22,27)(H,25,26)
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| InChIKey |
FZQUYRHJKAUIRH-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