General Information of the Compound
| Compound ID |
CP0273555
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| Compound Name |
4-[[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H30N6O3S
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| Molecular Weight |
494.621
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C2CC2)cc1
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| InChI |
InChI=1S/C25H30N6O3S/c26-35(32,33)22-8-4-18(5-9-22)15-27-24-23(20-6-7-20)16-28-25(30-24)29-21-3-1-2-19(14-21)17-31-10-12-34-13-11-31/h1-5,8-9,14,16,20H,6-7,10-13,15,17H2,(H2,26,32,33)(H2,27,28,29,30)
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| InChIKey |
PUFFLYGGNSKHRQ-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