General Information of the Compound
| Compound ID |
CP0495456
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| Compound Name |
3-[6-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C20H12F6N4O3
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| Molecular Weight |
470.329
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| Canonical SMILES |
OC(=O)CCc1nc2ccc(cc2[nH]1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H12F6N4O3/c21-19(22,23)11-5-10(6-12(8-11)20(24,25)26)18-29-17(30-33-18)9-1-2-13-14(7-9)28-15(27-13)3-4-16(31)32/h1-2,5-8H,3-4H2,(H,27,28)(H,31,32)
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| InChIKey |
QZVQSAFMVMIKTL-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