General Information of the Compound
| Compound ID |
CP0458131
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| Compound Name |
N-[1-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]-2-methylpropan-2-yl]-3-(2-phenylethoxy)propanamide
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| Structure |
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| Formula |
C24H31N3O4S
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| Molecular Weight |
457.596
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| Canonical SMILES |
CC(C)(CNCCc1ccc(O)c2[nH]c(=O)sc12)NC(=O)CCOCCc1ccccc1
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| InChI |
InChI=1S/C24H31N3O4S/c1-24(2,27-20(29)12-15-31-14-11-17-6-4-3-5-7-17)16-25-13-10-18-8-9-19(28)21-22(18)32-23(30)26-21/h3-9,25,28H,10-16H2,1-2H3,(H,26,30)(H,27,29)
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| InChIKey |
JDHDRIGYAWQOJE-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