General Information of the Compound
| Compound ID |
CP0432530
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| Compound Name |
tert-butyl 2-[(4-methoxyphenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate
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| Structure |
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| Formula |
C19H24N2O5S
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| Molecular Weight |
392.477
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| Canonical SMILES |
COc1ccc(CN(CC(=O)OC(C)(C)C)Cc2ccc(s2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C19H24N2O5S/c1-19(2,3)26-18(22)13-20(11-14-5-7-15(25-4)8-6-14)12-16-9-10-17(27-16)21(23)24/h5-10H,11-13H2,1-4H3
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| InChIKey |
KLAVHPZZDKGNJC-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