General Information of the Compound
| Compound ID |
CP0426622
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| Compound Name |
US8791272, 9.17
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| Structure |
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| Formula |
C28H29N3O3
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| Molecular Weight |
455.558
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)C(=O)NCc2ccc3ccccc3c2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C28H29N3O3/c1-3-25-24(16-27(32)33)26(4-2)31(30-25)18-19-9-13-22(14-10-19)28(34)29-17-20-11-12-21-7-5-6-8-23(21)15-20/h5-15H,3-4,16-18H2,1-2H3,(H,29,34)(H,32,33)
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| InChIKey |
SWZSGWKCDRSKIF-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