General Information of the Compound
| Compound ID |
CP0413317
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| Compound Name |
3-[[(4-fluorophenyl)methyl-(quinoline-3-carbonyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C25H19FN2O3
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| Molecular Weight |
414.436
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| Canonical SMILES |
OC(=O)c1cccc(CN(Cc2ccc(F)cc2)C(=O)c2cnc3ccccc3c2)c1
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| InChI |
InChI=1S/C25H19FN2O3/c26-22-10-8-17(9-11-22)15-28(16-18-4-3-6-20(12-18)25(30)31)24(29)21-13-19-5-1-2-7-23(19)27-14-21/h1-14H,15-16H2,(H,30,31)
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| InChIKey |
HJSQCRSFKNMRKD-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