General Information of the Compound
| Compound ID |
CP0096098
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| Compound Name |
1-(benzo[d]thiazol-2-ylmethyl)-N-(3-ethoxy-4-methoxyphenyl)piperidin-4-amine
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| Structure |
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| Formula |
C22H27N3O2S
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| Molecular Weight |
397.544
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| Canonical SMILES |
CCOc1cc(NC2CCN(Cc3nc4ccccc4s3)CC2)ccc1OC
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| InChI |
InChI=1S/C22H27N3O2S/c1-3-27-20-14-17(8-9-19(20)26-2)23-16-10-12-25(13-11-16)15-22-24-18-6-4-5-7-21(18)28-22/h4-9,14,16,23H,3,10-13,15H2,1-2H3
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| InChIKey |
PLCWSMXIZXVZJL-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