General Information of the Compound
| Compound ID |
CP0142969
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| Compound Name |
5-(3,5-dichloropyridin-4-yl)sulfanyl-N-(1-methylpiperidin-4-yl)-4-nitrothiophene-2-carboxamide
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| Structure |
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| Formula |
C16H16Cl2N4O3S2
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| Molecular Weight |
447.369
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)c1cc(c(Sc2c(Cl)cncc2Cl)s1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H16Cl2N4O3S2/c1-21-4-2-9(3-5-21)20-15(23)13-6-12(22(24)25)16(26-13)27-14-10(17)7-19-8-11(14)18/h6-9H,2-5H2,1H3,(H,20,23)
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| InChIKey |
DMPNZWATLDPOGT-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