General Information of the Compound
| Compound ID |
CP0573576
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| Compound Name |
[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C28H26F3N5O4
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| Molecular Weight |
553.541
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| Canonical SMILES |
COc1ccc(cc1)-c1noc(n1)-c1ccc(cn1)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C28H26F3N5O4/c1-38-22-9-4-20(5-10-22)25-33-26(40-34-25)24-11-6-21(16-32-24)27(37)36-14-12-35(13-15-36)17-19-2-7-23(8-3-19)39-18-28(29,30)31/h2-11,16H,12-15,17-18H2,1H3
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| InChIKey |
FAMNPWQUSIAASY-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