General Information of the Compound
| Compound ID |
CP0546007
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| Compound Name |
5-(3-chlorophenyl)-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C17H17ClN4
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| Molecular Weight |
312.804
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| Canonical SMILES |
Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
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| InChI |
InChI=1S/C17H17ClN4/c18-13-6-4-5-12(9-13)14-10-19-16-15(14)17(21-11-20-16)22-7-2-1-3-8-22/h4-6,9-11H,1-3,7-8H2,(H,19,20,21)
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| InChIKey |
QSJSVHCOJILSCM-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