General Information of the Compound
| Compound ID |
CP0562176
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| Compound Name |
(E)-1-(4-bromophenyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-yl]methanimine
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| Structure |
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| Formula |
C17H15BrF3N3
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| Molecular Weight |
398.226
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCC(N1)\N=C\c1ccc(Br)cc1
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| InChI |
InChI=1S/C17H15BrF3N3/c18-14-6-4-12(5-7-14)11-22-16-8-9-24(23-16)15-3-1-2-13(10-15)17(19,20)21/h1-7,10-11,16,23H,8-9H2/b22-11+
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| InChIKey |
RYELHYRZYRALOO-SSDVNMTOSA-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
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1