General Information of the Compound
| Compound ID |
CP0551444
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| Compound Name |
N-[3-[[4-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C22H25N7O3S
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| Molecular Weight |
467.555
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(NC(=O)N4CCCC4)c3)n2)cc1
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| InChI |
InChI=1S/C22H25N7O3S/c23-33(31,32)19-8-6-16(7-9-19)15-25-20-10-11-24-21(28-20)26-17-4-3-5-18(14-17)27-22(30)29-12-1-2-13-29/h3-11,14H,1-2,12-13,15H2,(H,27,30)(H2,23,31,32)(H2,24,25,26,28)
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| InChIKey |
HMJLKNDKEHFXHG-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: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT01383, MAP/microtubule affinity-regulating kinase 3
Protein ID: PT01667, MAP/microtubule affinity-regulating kinase 4
Protein ID: PT01540, Non-receptor tyrosine-protein kinase TYK2
Protein ID: PT01212, Serine/threonine-protein kinase 17A
Protein ID: PT01682, Serine/threonine-protein kinase TBK1