General Information of the Compound
| Compound ID |
CP0391030
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| Compound Name |
4-((4-(benzo[d]thiazol-2-ylamino)piperidin-1-yl)methyl)-2-methoxyphenol
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| Structure |
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| Formula |
C20H23N3O2S
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| Molecular Weight |
369.49
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| Canonical SMILES |
COc1cc(CN2CCC(CC2)Nc2nc3ccccc3s2)ccc1O
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| InChI |
InChI=1S/C20H23N3O2S/c1-25-18-12-14(6-7-17(18)24)13-23-10-8-15(9-11-23)21-20-22-16-4-2-3-5-19(16)26-20/h2-7,12,15,24H,8-11,13H2,1H3,(H,21,22)
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| InChIKey |
LILTUBMNBVWQFU-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