General Information of the Compound
| Compound ID |
CP0951028
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| Compound Name |
3-((5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-2-methylpropan-1-ol
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| Structure |
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| Formula |
C17H19ClN4O
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| Molecular Weight |
330.819
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| Canonical SMILES |
CC(CO)CN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
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| InChI |
InChI=1S/C17H19ClN4O/c1-11(9-23)8-22(2)17-15-14(7-19-16(15)20-10-21-17)12-4-3-5-13(18)6-12/h3-7,10-11,23H,8-9H2,1-2H3,(H,19,20,21)
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| InChIKey |
DJOLWWBENMZSKJ-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