General Information of the Compound
| Compound ID |
CP0535792
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| Compound Name |
2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]piperidin-1-yl]benzamide
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| Structure |
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| Formula |
C28H33ClF3N3O3
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| Molecular Weight |
552.037
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1Cl)N1CCC(CC1)C1CCN(CC1)C(=O)[C@](O)(c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C28H33ClF3N3O3/c1-33(2)25(36)23-9-8-22(18-24(23)29)34-14-10-19(11-15-34)20-12-16-35(17-13-20)26(37)27(38,28(30,31)32)21-6-4-3-5-7-21/h3-9,18-20,38H,10-17H2,1-2H3/t27-/m1/s1
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| InChIKey |
JFGUQJWIGPIGJG-HHHXNRCGSA-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta