General Information of the Compound
| Compound ID |
CP0199269
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| Compound Name |
(2R,4S)-1-[2-[4-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
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| Structure |
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| Formula |
C24H25F4N3O2S
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| Molecular Weight |
495.542
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| Canonical SMILES |
OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2cccc(c2F)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H25F4N3O2S/c25-22-19(2-1-3-20(22)24(26,27)28)21-14-34-23(30-21)29-16-6-4-15(5-7-16)8-10-31-11-9-18(33)12-17(31)13-32/h1-7,14,17-18,32-33H,8-13H2,(H,29,30)/t17-,18+/m1/s1
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| InChIKey |
HLECVOVYAFPDGC-MSOLQXFVSA-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