General Information of the Compound
| Compound ID |
CP0393563
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| Compound Name |
4-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid
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| Structure |
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| Formula |
C21H14F6N4O3
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| Molecular Weight |
484.356
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| Canonical SMILES |
OC(=O)CCCn1ncc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H14F6N4O3/c22-20(23,24)14-7-12(8-15(9-14)21(25,26)27)19-29-18(30-34-19)11-3-4-16-13(6-11)10-28-31(16)5-1-2-17(32)33/h3-4,6-10H,1-2,5H2,(H,32,33)
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| InChIKey |
XDKYMGHOUKZROP-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