General Information of the Compound
| Compound ID |
CP0482771
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| Compound Name |
N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-(2-phenylethoxy)propanamide
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| Structure |
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| Formula |
C28H40N4O4S
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| Molecular Weight |
528.719
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| Canonical SMILES |
CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
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| InChI |
InChI=1S/C28H40N4O4S/c1-3-31(4-2)18-19-32(25(34)14-21-36-20-13-22-8-6-5-7-9-22)17-16-29-15-12-23-10-11-24(33)26-27(23)37-28(35)30-26/h5-11,29,33H,3-4,12-21H2,1-2H3,(H,30,35)
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| InChIKey |
UGUFEFMMJARSLS-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