General Information of the Compound
| Compound ID |
CP0442295
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| Compound Name |
4-tert-butylbenzyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
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| Structure |
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| Formula |
C22H30N4O2
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| Molecular Weight |
382.508
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| Canonical SMILES |
CC(C)(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1
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| InChI |
InChI=1S/C22H30N4O2/c1-22(2,3)19-7-5-18(6-8-19)16-28-21(27)26-13-9-17(10-14-26)15-25-20-23-11-4-12-24-20/h4-8,11-12,17H,9-10,13-16H2,1-3H3,(H,23,24,25)
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| InChIKey |
QMKIWWSSEBBOLG-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