General Information of the Compound
| Compound ID |
CP0524902
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| Compound Name |
5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
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| Structure |
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| Formula |
C23H17F6N3O4
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| Molecular Weight |
513.394
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| Canonical SMILES |
OC(=O)CCCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H17F6N3O4/c24-22(25,26)15-9-14(10-16(11-15)23(27,28)29)21-30-20(31-36-21)13-4-5-17-12(8-13)6-7-32(17)18(33)2-1-3-19(34)35/h4-5,8-11H,1-3,6-7H2,(H,34,35)
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| InChIKey |
VVAOSIRKIPIEJD-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