General Information of the Compound
| Compound ID |
CP0517342
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| Compound Name |
2-[4-[(3,4-difluoro-N-pentanoylanilino)methyl]phenyl]benzoic acid
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| Formula |
C25H23F2NO3
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| Molecular Weight |
423.459
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(O)=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C25H23F2NO3/c1-2-3-8-24(29)28(19-13-14-22(26)23(27)15-19)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25(30)31/h4-7,9-15H,2-3,8,16H2,1H3,(H,30,31)
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| InChIKey |
YHLPPYDOEDYBLB-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