General Information of the Compound
| Compound ID |
CP0343779
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| Compound Name |
[2-oxo-2-[3-(pyridine-2-carbonylamino)anilino]ethyl] piperidine-1-carbodithioate
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| Structure |
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| Formula |
C20H22N4O2S2
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| Molecular Weight |
414.556
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| Canonical SMILES |
O=C(CSC(=S)N1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1
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| InChI |
InChI=1S/C20H22N4O2S2/c25-18(14-28-20(27)24-11-4-1-5-12-24)22-15-7-6-8-16(13-15)23-19(26)17-9-2-3-10-21-17/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,22,25)(H,23,26)
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| InChIKey |
QRYCUSXBKIUASA-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
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2