General Information of the Compound
| Compound ID |
CP0215592
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| Compound Name |
5-chloro-3-[2-oxo-2-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C25H28ClN3O2S
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| Molecular Weight |
470.038
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| Canonical SMILES |
Clc1ccc2sc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C25H28ClN3O2S/c26-19-10-11-23-21(15-19)29(25(31)32-23)17-24(30)28-14-6-9-20(18-7-2-1-3-8-18)22(28)16-27-12-4-5-13-27/h1-3,7-8,10-11,15,20,22H,4-6,9,12-14,16-17H2
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| InChIKey |
XGRAVLAUZKWSQZ-UHFFFAOYSA-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