General Information of the Compound
| Compound ID |
CP0405067
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| Compound Name |
N-[3-[[5-chloro-2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H25ClN6O4
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| Molecular Weight |
508.966
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| Canonical SMILES |
Clc1cnc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C25H25ClN6O4/c1-2-22(33)28-18-4-3-5-19(14-18)29-24-21(26)15-27-25(31-24)30-17-6-8-20(9-7-17)36-16-23(34)32-10-12-35-13-11-32/h2-9,14-15H,1,10-13,16H2,(H,28,33)(H2,27,29,30,31)
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| InChIKey |
LNZVLKMUIPQWTC-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: PT01308, Tyrosine-protein kinase BTK
Protein ID: PT00892, Tyrosine-protein kinase JAK3