General Information of the Compound
| Compound ID |
CP0453563
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| Compound Name |
(3S)-3-[[4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C21H19F2N3O4
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| Molecular Weight |
415.396
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| Canonical SMILES |
COc1c(F)c(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
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| InChI |
InChI=1S/C21H19F2N3O4/c1-12-7-3-4-8-13(12)15(11-17(27)28)24-20(29)19-18(23)21(30-2)26(25-19)16-10-6-5-9-14(16)22/h3-10,15H,11H2,1-2H3,(H,24,29)(H,27,28)/t15-/m0/s1
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| InChIKey |
JJESVTISHCJIHX-HNNXBMFYSA-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