General Information of the Compound
| Compound ID |
CP0459872
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| Compound Name |
US8791272, 2.29
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| Structure |
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| Formula |
C29H35N3O3
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| Molecular Weight |
473.617
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)c3ccccc3C3CCCCC3)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C29H35N3O3/c1-3-26-25(18-28(33)34)27(4-2)32(31-26)19-20-14-16-22(17-15-20)30-29(35)24-13-9-8-12-23(24)21-10-6-5-7-11-21/h8-9,12-17,21H,3-7,10-11,18-19H2,1-2H3,(H,30,35)(H,33,34)
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| InChIKey |
IJOSACZLTAWSAV-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