General Information of the Compound
| Compound ID |
CP0296157
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| Compound Name |
7-[(1R)-2-[3-[2-[2-(2-chlorophenyl)ethylamino]ethylsulfanyl]propylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C22H28ClN3O3S2
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| Molecular Weight |
482.071
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| Canonical SMILES |
O[C@@H](CNCCCSCCNCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C22H28ClN3O3S2/c23-17-5-2-1-4-15(17)8-10-24-11-13-30-12-3-9-25-14-19(28)16-6-7-18(27)20-21(16)31-22(29)26-20/h1-2,4-7,19,24-25,27-28H,3,8-14H2,(H,26,29)/t19-/m0/s1
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| InChIKey |
GVHLBPYEIBTYRR-IBGZPJMESA-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