General Information of the Compound
| Compound ID |
CP0164884
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| Compound Name |
7-[(1R)-2-[2-[3-[2-(3-chlorophenyl)ethylamino]propylsulfonyl]ethylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C22H28ClN3O5S2
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| Molecular Weight |
514.069
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| Canonical SMILES |
O[C@@H](CNCCS(=O)(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C22H28ClN3O5S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-33(30,31)12-10-25-14-19(28)17-5-6-18(27)20-21(17)32-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1
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| InChIKey |
HMSZGAMZVAVPLW-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