General Information of the Compound
| Compound ID |
CP0915475
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| Compound Name |
1-(4-(6-(dimethylamino)pyridin-3-yl)benzyl)-5-hydroxy-4-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C24H25N3O4
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| Molecular Weight |
419.481
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| Canonical SMILES |
CN(C)c1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCCC4O)cc2)cn1
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| InChI |
InChI=1S/C24H25N3O4/c1-26(2)21-11-10-17(12-25-21)16-8-6-15(7-9-16)13-27-14-18(24(30)31)23(29)22-19(27)4-3-5-20(22)28/h6-12,14,20,28H,3-5,13H2,1-2H3,(H,30,31)
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| InChIKey |
QMCMCHGMNNTIBC-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