General Information of the Compound
| Compound ID |
CP0357337
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| Compound Name |
1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
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| Structure |
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| Formula |
C17H17ClN4O
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| Molecular Weight |
328.803
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| Canonical SMILES |
OC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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| InChI |
InChI=1S/C17H17ClN4O/c18-12-3-1-2-11(8-12)14-9-19-16-15(14)17(21-10-20-16)22-6-4-13(23)5-7-22/h1-3,8-10,13,23H,4-7H2,(H,19,20,21)
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| InChIKey |
HVELYDDHAUZMMJ-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