General Information of the Compound
| Compound ID |
CP0302984
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| Compound Name |
5-(2,6-dichlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)-4-nitrothiophene-2-carboxamide
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| Structure |
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| Formula |
C17H17Cl2N3O3S2
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| Molecular Weight |
446.381
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)c1cc(c(Sc2c(Cl)cccc2Cl)s1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H17Cl2N3O3S2/c1-21-7-5-10(6-8-21)20-16(23)14-9-13(22(24)25)17(26-14)27-15-11(18)3-2-4-12(15)19/h2-4,9-10H,5-8H2,1H3,(H,20,23)
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| InChIKey |
DSKVXMHNKGVAOI-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