General Information of the Compound
| Compound ID |
CP0450587
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| Compound Name |
4-(4-bromophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
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| Structure |
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| Formula |
C19H17BrF4N2O2
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| Molecular Weight |
461.253
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| Canonical SMILES |
OC1(CCN(CC1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F)c1ccc(Br)cc1
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| InChI |
InChI=1S/C19H17BrF4N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27)
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| InChIKey |
YSUCSHSFOQEYCJ-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
Protein ID: PT06107, Sphingosine 1-phosphate receptor 2
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2