General Information of the Compound
| Compound ID |
CP0421132
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| Compound Name |
tert-butyl 2-[naphthalen-1-ylsulfonyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate
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| Structure |
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| Formula |
C21H22N2O6S2
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| Molecular Weight |
462.549
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| Canonical SMILES |
CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C21H22N2O6S2/c1-21(2,3)29-20(24)14-22(13-16-11-12-19(30-16)23(25)26)31(27,28)18-10-6-8-15-7-4-5-9-17(15)18/h4-12H,13-14H2,1-3H3
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| InChIKey |
NDKBFNNGYBCXEC-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