General Information of the Compound
| Compound ID |
CP0442297
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| Compound Name |
4-methylbenzyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
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| Structure |
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| Formula |
C18H22N4O2
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| Molecular Weight |
326.4
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| Canonical SMILES |
Cc1ccc(COC(=O)N2CCC(CC2)Nc2ncccn2)cc1
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| InChI |
InChI=1S/C18H22N4O2/c1-14-3-5-15(6-4-14)13-24-18(23)22-11-7-16(8-12-22)21-17-19-9-2-10-20-17/h2-6,9-10,16H,7-8,11-13H2,1H3,(H,19,20,21)
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| InChIKey |
UCWDXVNBJQGZMP-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