General Information of the Compound
| Compound ID |
CP0511051
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| Compound Name |
N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
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| Structure |
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| Formula |
C24H27F3N4O2
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| Molecular Weight |
460.5
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| Canonical SMILES |
COc1ccccc1-c1cc(CNCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)on1
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| InChI |
InChI=1S/C24H27F3N4O2/c1-32-23-8-3-2-7-21(23)22-16-20(33-29-22)17-28-9-10-30-11-13-31(14-12-30)19-6-4-5-18(15-19)24(25,26)27/h2-8,15-16,28H,9-14,17H2,1H3
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| InChIKey |
WNEBOHSVFNPQCI-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