General Information of the Compound
| Compound ID |
CP0523015
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| Compound Name |
2-[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]acetamide
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| Structure |
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| Formula |
C14H14ClN3O3S
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| Molecular Weight |
339.804
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| Canonical SMILES |
NC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C14H14ClN3O3S/c15-11-3-1-10(2-4-11)7-17(9-13(16)19)8-12-5-6-14(22-12)18(20)21/h1-6H,7-9H2,(H2,16,19)
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| InChIKey |
FAIGEXJVXFKDRO-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