General Information of the Compound
| Compound ID |
CP0410653
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| Compound Name |
US8791272, 1.29
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| Structure |
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| Formula |
C25H27N3O3
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| Molecular Weight |
417.509
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3cccc4CCCCc34)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C25H27N3O3/c1-16-23(14-24(29)30)17(2)28(27-16)15-18-10-12-20(13-11-18)26-25(31)22-9-5-7-19-6-3-4-8-21(19)22/h5,7,9-13H,3-4,6,8,14-15H2,1-2H3,(H,26,31)(H,29,30)
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| InChIKey |
VTUHGOLIZSTTOB-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