General Information of the Compound
| Compound ID |
CP0427442
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| Compound Name |
3-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propanoic acid
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| Structure |
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| Formula |
C21H15F6N3O3
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| Molecular Weight |
471.357
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| Canonical SMILES |
OC(=O)CCN1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H15F6N3O3/c22-20(23,24)14-8-13(9-15(10-14)21(25,26)27)19-28-18(29-33-19)12-1-2-16-11(7-12)3-5-30(16)6-4-17(31)32/h1-2,7-10H,3-6H2,(H,31,32)
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| InChIKey |
JCNALFMRXGQDGH-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