General Information of the Compound
| Compound ID |
CP0486886
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| Compound Name |
methyl 2-[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate
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| Structure |
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| Formula |
C15H15ClN2O4S
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| Molecular Weight |
354.815
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| Canonical SMILES |
COC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C15H15ClN2O4S/c1-22-15(19)10-17(8-11-2-4-12(16)5-3-11)9-13-6-7-14(23-13)18(20)21/h2-7H,8-10H2,1H3
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| InChIKey |
CUMNDEKYCCHMBJ-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