General Information of the Compound
| Compound ID |
CP0514018
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| Compound Name |
3-[[4-[(E)-N-[[4-(4-fluorophenyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methylamino]propanoic acid
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| Structure |
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| Formula |
C25H25FN2O3
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| Molecular Weight |
420.484
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| Canonical SMILES |
C\C(=N/OCc1ccc(cc1)-c1ccc(F)cc1)c1ccc(CNCCC(O)=O)cc1
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| InChI |
InChI=1S/C25H25FN2O3/c1-18(21-6-2-19(3-7-21)16-27-15-14-25(29)30)28-31-17-20-4-8-22(9-5-20)23-10-12-24(26)13-11-23/h2-13,27H,14-17H2,1H3,(H,29,30)/b28-18+
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| InChIKey |
NQSBLPSEBZEEPP-MTDXEUNCSA-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