General Information of the Compound
| Compound ID |
CP0522159
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| Compound Name |
(2S)-2-amino-4-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
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| Structure |
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| Formula |
C22H16F6N4O4
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| Molecular Weight |
514.382
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| Canonical SMILES |
N[C@@H](CC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C22H16F6N4O4/c23-21(24,25)13-6-12(7-14(8-13)22(26,27)28)19-30-18(31-36-19)11-1-2-16-10(5-11)3-4-32(16)17(33)9-15(29)20(34)35/h1-2,5-8,15H,3-4,9,29H2,(H,34,35)/t15-/m0/s1
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| InChIKey |
UYSZRALYBIFTBO-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