General Information of the Compound
| Compound ID |
CP0511189
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| Compound Name |
2-[4-[2-[bis(2-hydroxyethyl)amino]ethoxy]naphthalen-1-yl]-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide
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| Structure |
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| Formula |
C30H39N3O8S
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| Molecular Weight |
601.722
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| Canonical SMILES |
COc1c(NC(=O)C(=O)c2ccc(OCCN(CCO)CCO)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
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| InChI |
InChI=1S/C30H39N3O8S/c1-30(2,3)20-18-24(28(40-4)25(19-20)32-42(5,38)39)31-29(37)27(36)23-10-11-26(22-9-7-6-8-21(22)23)41-17-14-33(12-15-34)13-16-35/h6-11,18-19,32,34-35H,12-17H2,1-5H3,(H,31,37)
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| InChIKey |
QBISNYGDFHPMOY-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