General Information of the Compound
| Compound ID |
CP0406223
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| Compound Name |
N-[2-(dimethylamino)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 |
C26H36N4O4S
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| Molecular Weight |
500.665
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| Canonical SMILES |
CN(C)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1
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| InChI |
InChI=1S/C26H36N4O4S/c1-29(2)16-17-30(23(32)12-19-34-18-11-20-6-4-3-5-7-20)15-14-27-13-10-21-8-9-22(31)24-25(21)35-26(33)28-24/h3-9,27,31H,10-19H2,1-2H3,(H,28,33)
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| InChIKey |
KFFHPHUPVZQMDB-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