General Information of the Compound
| Compound ID |
CP0435393
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| Compound Name |
3-[2-(3-chlorophenyl)ethoxy]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
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| Structure |
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| Formula |
C29H41ClN4O4S
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| Molecular Weight |
577.191
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| Canonical SMILES |
CC(C)N(C)CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc(Cl)c1
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| InChI |
InChI=1S/C29H41ClN4O4S/c1-21(2)33(3)15-5-16-34(26(36)12-19-38-18-11-22-6-4-7-24(30)20-22)17-14-31-13-10-23-8-9-25(35)27-28(23)39-29(37)32-27/h4,6-9,20-21,31,35H,5,10-19H2,1-3H3,(H,32,37)
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| InChIKey |
IDSZVHRWDXGSEI-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