General Information of the Compound
| Compound ID |
CP0575552
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| Compound Name |
2-[4-(trifluoromethoxy)phenyl]-1-[4-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C28H21F6N5O4
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| Molecular Weight |
605.495
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CC(=O)N2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H21F6N5O4/c29-27(30,31)20-6-3-18(4-7-20)24-36-25(43-37-24)22-10-5-19(16-35-22)26(41)39-13-11-38(12-14-39)23(40)15-17-1-8-21(9-2-17)42-28(32,33)34/h1-10,16H,11-15H2
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| InChIKey |
FIPGYNYVHUHIKE-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