General Information of the Compound
| Compound ID |
CP0431570
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| Compound Name |
3,5-dimethoxy-N-[4-phenyl-5-(3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride
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| Structure |
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| Formula |
C26H33Cl2N3O3S
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| Molecular Weight |
538.541
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| Canonical SMILES |
Cl.Cl.COc1cc(OC)cc(c1)C(=O)Nc1nc(c(CCCN2CCCCC2)s1)-c1ccccc1
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| InChI |
InChI=1S/C26H31N3O3S.2ClH/c1-31-21-16-20(17-22(18-21)32-2)25(30)28-26-27-24(19-10-5-3-6-11-19)23(33-26)12-9-15-29-13-7-4-8-14-29;;/h3,5-6,10-11,16-18H,4,7-9,12-15H2,1-2H3,(H,27,28,30);2*1H
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| InChIKey |
RVRMOISZVRFRRJ-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