General Information of the Compound
| Compound ID |
CP0032414
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| Compound Name |
3-[(dipentylamino)methyl]-4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
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| Structure |
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| Formula |
C29H37FN4O4
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| Molecular Weight |
524.637
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| Canonical SMILES |
CCCCCN(CCCCC)Cc1cc(ccc1NC(=O)c1cc2cc(F)cc(NC)c2[nH]c1=O)C(O)=O
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| InChI |
InChI=1S/C29H37FN4O4/c1-4-6-8-12-34(13-9-7-5-2)18-21-14-19(29(37)38)10-11-24(21)32-27(35)23-16-20-15-22(30)17-25(31-3)26(20)33-28(23)36/h10-11,14-17,31H,4-9,12-13,18H2,1-3H3,(H,32,35)(H,33,36)(H,37,38)
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| InChIKey |
DFZMJDOPWZIKHC-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