General Information of the Compound
| Compound ID |
CP0176540
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| Compound Name |
(2R,4S)-2-(hydroxymethyl)-1-[2-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethyl]piperidin-4-ol
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| Structure |
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| Formula |
C23H27N3O2S
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| Molecular Weight |
409.555
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| Canonical SMILES |
OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C23H27N3O2S/c27-15-20-14-21(28)11-13-26(20)12-10-17-6-8-19(9-7-17)24-23-25-22(16-29-23)18-4-2-1-3-5-18/h1-9,16,20-21,27-28H,10-15H2,(H,24,25)/t20-,21+/m1/s1
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| InChIKey |
CMBJCLHLCIYVRO-RTWAWAEBSA-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