General Information of the Compound
| Compound ID |
CP0275729
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| Compound Name |
7-[2-[2-[4-[[2-(2,6-dichlorophenyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C26H27Cl2N3O2S
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| Molecular Weight |
516.494
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| Canonical SMILES |
Oc1ccc(CCNCCc2ccc(CNCCc3c(Cl)cccc3Cl)cc2)c2sc(=O)[nH]c12
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| InChI |
InChI=1S/C26H27Cl2N3O2S/c27-21-2-1-3-22(28)20(21)12-15-30-16-18-6-4-17(5-7-18)10-13-29-14-11-19-8-9-23(32)24-25(19)34-26(33)31-24/h1-9,29-30,32H,10-16H2,(H,31,33)
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| InChIKey |
VXWRTVFVCMMICW-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