General Information of the Compound
| Compound ID |
CP0078863
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| Compound Name |
(2R,4S)-1-[2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
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| Structure |
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| Formula |
C23H26ClN3O2S
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| Molecular Weight |
444
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| Canonical SMILES |
OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C23H26ClN3O2S/c24-18-5-3-17(4-6-18)22-15-30-23(26-22)25-19-7-1-16(2-8-19)9-11-27-12-10-21(29)13-20(27)14-28/h1-8,15,20-21,28-29H,9-14H2,(H,25,26)/t20-,21+/m1/s1
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| InChIKey |
DGHASZVHKYOGMP-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