General Information of the Compound
| Compound ID |
CP0200931
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| Compound Name |
7-[2-[2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C26H28FN3O2S
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| Molecular Weight |
465.594
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| Canonical SMILES |
Oc1ccc(CCNCCc2ccc(CNCCc3ccccc3F)cc2)c2sc(=O)[nH]c12
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| InChI |
InChI=1S/C26H28FN3O2S/c27-22-4-2-1-3-20(22)12-16-29-17-19-7-5-18(6-8-19)11-14-28-15-13-21-9-10-23(31)24-25(21)33-26(32)30-24/h1-10,28-29,31H,11-17H2,(H,30,32)
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| InChIKey |
NTCRLPYMXZTMKU-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