General Information of the Compound
| Compound ID |
CP0225663
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| Compound Name |
N'-(4-chloro-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]oxamide
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| Structure |
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| Formula |
C19H22ClFN4O2S
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| Molecular Weight |
424.929
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| Canonical SMILES |
CN1CCN(CC1)C(CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1cccs1
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| InChI |
InChI=1S/C19H22ClFN4O2S/c1-24-6-8-25(9-7-24)16(17-3-2-10-28-17)12-22-18(26)19(27)23-13-4-5-14(20)15(21)11-13/h2-5,10-11,16H,6-9,12H2,1H3,(H,22,26)(H,23,27)
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| InChIKey |
WAMBMFGJKGZVEY-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