General Information of the Compound
| Compound ID |
CP0525376
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| Compound Name |
4-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]amino]oxan-3-ol
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| Structure |
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| Formula |
C16H22F3N3O2
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| Molecular Weight |
345.365
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| Canonical SMILES |
OC1COCCC1NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C16H22F3N3O2/c17-16(18,19)11-1-2-15(20-9-11)22-6-3-12(4-7-22)21-13-5-8-24-10-14(13)23/h1-2,9,12-14,21,23H,3-8,10H2
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| InChIKey |
YTLYRBAXRSFIBF-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: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1