General Information of the Compound
| Compound ID |
CP0402969
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| Compound Name |
3,5-dimethoxy-N-[4-phenyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide;hydrochloride
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| Structure |
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| Formula |
C24H28ClN3O3S
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| Molecular Weight |
474.026
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| Canonical SMILES |
Cl.COc1cc(OC)cc(c1)C(=O)Nc1nc(c(CN2CCCCC2)s1)-c1ccccc1
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| InChI |
InChI=1S/C24H27N3O3S.ClH/c1-29-19-13-18(14-20(15-19)30-2)23(28)26-24-25-22(17-9-5-3-6-10-17)21(31-24)16-27-11-7-4-8-12-27;/h3,5-6,9-10,13-15H,4,7-8,11-12,16H2,1-2H3,(H,25,26,28);1H
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| InChIKey |
XAUCTENMTHOECI-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