General Information of the Compound
| Compound ID |
CP0540791
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| Compound Name |
3-[[4-[(E)-C-methyl-N-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methylamino]propanoic acid
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| Structure |
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| Formula |
C26H25F3N2O3
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| Molecular Weight |
470.491
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| Canonical SMILES |
C\C(=N/OCc1ccc(cc1C(F)(F)F)-c1ccccc1)c1ccc(CNCCC(O)=O)cc1
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| InChI |
InChI=1S/C26H25F3N2O3/c1-18(20-9-7-19(8-10-20)16-30-14-13-25(32)33)31-34-17-23-12-11-22(15-24(23)26(27,28)29)21-5-3-2-4-6-21/h2-12,15,30H,13-14,16-17H2,1H3,(H,32,33)/b31-18+
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| InChIKey |
NQTFBXHYBFVOML-FDAWAROLSA-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