General Information of the Compound
| Compound ID |
CP0543933
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| Compound Name |
N-[3-[[5-cyclopropyl-4-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C25H29N7O3S
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| Molecular Weight |
507.62
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2C2CC2)cc1
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| InChI |
InChI=1S/C25H29N7O3S/c26-36(34,35)21-10-6-17(7-11-21)15-27-23-22(18-8-9-18)16-28-24(31-23)29-19-4-3-5-20(14-19)30-25(33)32-12-1-2-13-32/h3-7,10-11,14,16,18H,1-2,8-9,12-13,15H2,(H,30,33)(H2,26,34,35)(H2,27,28,29,31)
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| InChIKey |
YEEWXIVVPABJAB-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: PT01383, MAP/microtubule affinity-regulating kinase 3
Protein ID: PT01667, MAP/microtubule affinity-regulating kinase 4
Protein ID: PT01212, Serine/threonine-protein kinase 17A
Protein ID: PT01682, Serine/threonine-protein kinase TBK1