General Information of the Compound
| Compound ID |
CP0461539
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| Compound Name |
3-fluorobenzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
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| Structure |
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| Formula |
C18H21FN4O2
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| Molecular Weight |
344.39
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| Canonical SMILES |
Fc1cccc(COC(=O)N2CCC(CNc3ncccn3)CC2)c1
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| InChI |
InChI=1S/C18H21FN4O2/c19-16-4-1-3-15(11-16)13-25-18(24)23-9-5-14(6-10-23)12-22-17-20-7-2-8-21-17/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,20,21,22)
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| InChIKey |
URHIENDQMYJNAW-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: PT02751, Glutamate receptor ionotropic, NMDA 2B
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2