General Information of the Compound
| Compound ID |
CP0571168
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| Compound Name |
1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpiperidin-4-amine
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| Structure |
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| Formula |
C18H20ClN5
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| Molecular Weight |
341.846
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| Canonical SMILES |
CNC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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| InChI |
InChI=1S/C18H20ClN5/c1-20-14-5-7-24(8-6-14)18-16-15(10-21-17(16)22-11-23-18)12-3-2-4-13(19)9-12/h2-4,9-11,14,20H,5-8H2,1H3,(H,21,22,23)
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| InChIKey |
XZKDYHDTDSBKKV-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: PT01378, Leucine-rich repeat serine/threonine-protein kinase 2
Protein ID: PT01150, Serine/threonine-protein kinase 3
Protein ID: PT01768, Serine/threonine-protein kinase 4