General Information of the Compound
| Compound ID |
CP0457928
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| Compound Name |
(5-methyl-2-phenyl-1,3-thiazol-4-yl) 4-piperidin-1-ylpiperidine-1-carboxylate
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| Structure |
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| Formula |
C21H27N3O2S
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| Molecular Weight |
385.533
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| Canonical SMILES |
Cc1sc(nc1OC(=O)N1CCC(CC1)N1CCCCC1)-c1ccccc1
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| InChI |
InChI=1S/C21H27N3O2S/c1-16-19(22-20(27-16)17-8-4-2-5-9-17)26-21(25)24-14-10-18(11-15-24)23-12-6-3-7-13-23/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3
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| InChIKey |
QBUQJHNDJDPKGA-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