General Information of the Compound
| Compound ID |
CP0474125
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| Compound Name |
N-[2-(3-chlorophenoxy)ethyl]-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-amine
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| Structure |
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| Formula |
C25H27ClF3N3O
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| Molecular Weight |
477.958
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NCCOc2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C25H27ClF3N3O/c26-21-2-1-3-24(16-21)33-15-11-30-22-9-12-31(13-10-22)17-19-8-14-32(18-19)23-6-4-20(5-7-23)25(27,28)29/h1-8,14,16,18,22,30H,9-13,15,17H2
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| InChIKey |
RTDPEIGWTJIPLT-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