General Information of the Compound
| Compound ID |
CP0488228
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| Compound Name |
[2-oxo-2-[3-(pyridine-2-carbonylamino)anilino]ethyl] 4-prop-2-enylpiperazine-1-carbodithioate
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| Structure |
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| Formula |
C22H25N5O2S2
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| Molecular Weight |
455.609
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| Canonical SMILES |
C=CCN1CCN(CC1)C(=S)SCC(=O)Nc1cccc(NC(=O)c2ccccn2)c1
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| InChI |
InChI=1S/C22H25N5O2S2/c1-2-10-26-11-13-27(14-12-26)22(30)31-16-20(28)24-17-6-5-7-18(15-17)25-21(29)19-8-3-4-9-23-19/h2-9,15H,1,10-14,16H2,(H,24,28)(H,25,29)
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| InChIKey |
KDHOZPMTSWPJJO-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