General Information of the Compound
| Compound ID |
CP0096067
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| Compound Name |
6-chloro-N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)benzo[d]thiazol-2-amine
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| Structure |
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| Formula |
C22H26ClN3O2S
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| Molecular Weight |
431.989
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(Cl)cc3s2)ccc1OC
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| InChI |
InChI=1S/C22H26ClN3O2S/c1-3-28-20-12-15(4-7-19(20)27-2)14-26-10-8-17(9-11-26)24-22-25-18-6-5-16(23)13-21(18)29-22/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,24,25)
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| InChIKey |
KHIPONGBEAENSB-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