General Information of the Compound
| Compound ID |
CP0125262
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| Compound Name |
(S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)phenylthio)-ethyl)piperidine
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| Structure |
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| Formula |
C17H20F3N3S
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| Molecular Weight |
355.429
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| Canonical SMILES |
FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1
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| InChI |
InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1
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| InChIKey |
HGLGWLWXYRAXPK-HNNXBMFYSA-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