General Information of the Compound
| Compound ID |
CP0529928
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| Compound Name |
[2-oxo-2-[3-(pyridine-2-carbonylamino)anilino]ethyl] 4-methylpiperazine-1-carbodithioate
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| Structure |
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| Formula |
C20H23N5O2S2
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| Molecular Weight |
429.571
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| Canonical SMILES |
CN1CCN(CC1)C(=S)SCC(=O)Nc1cccc(NC(=O)c2ccccn2)c1
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| InChI |
InChI=1S/C20H23N5O2S2/c1-24-9-11-25(12-10-24)20(28)29-14-18(26)22-15-5-4-6-16(13-15)23-19(27)17-7-2-3-8-21-17/h2-8,13H,9-12,14H2,1H3,(H,22,26)(H,23,27)
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| InChIKey |
BNLSXJOHDXPITM-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