General Information of the Compound
| Compound ID |
CP0383926
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| Compound Name |
5-{4-[4-((S)-2-Hydroxy-3-phenoxy-propylamino)-piperidin-1-yl]-benzylidene}-2-piperidin-1-yl-thiazol-4-one
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| Structure |
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| Formula |
C29H36N4O3S
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| Molecular Weight |
520.699
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| Canonical SMILES |
O[C@@H](CNC1CCN(CC1)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1)COc1ccccc1
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| InChI |
InChI=1S/C29H36N4O3S/c34-25(21-36-26-7-3-1-4-8-26)20-30-23-13-17-32(18-14-23)24-11-9-22(10-12-24)19-27-28(35)31-29(37-27)33-15-5-2-6-16-33/h1,3-4,7-12,19,23,25,30,34H,2,5-6,13-18,20-21H2/b27-19-/t25-/m0/s1
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| InChIKey |
KUDKJOYIJGDSMU-BFPHOCLHSA-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