General Information of the Compound
| Compound ID |
CP0148521
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| Compound Name |
7-[(1R)-2-[2-[3-[2-(4-ethoxyphenyl)ethylamino]propylsulfanyl]ethylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C24H33N3O4S2
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| Molecular Weight |
491.679
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| Canonical SMILES |
CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1
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| InChI |
InChI=1S/C24H33N3O4S2/c1-2-31-18-6-4-17(5-7-18)10-12-25-11-3-14-32-15-13-26-16-21(29)19-8-9-20(28)22-23(19)33-24(30)27-22/h4-9,21,25-26,28-29H,2-3,10-16H2,1H3,(H,27,30)/t21-/m0/s1
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| InChIKey |
LWKNIOKRJFVQBE-NRFANRHFSA-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