General Information of the Compound
| Compound ID |
CP0377041
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| Compound Name |
3-phenyl-1-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C19H24N4O
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| Molecular Weight |
324.428
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| Canonical SMILES |
O=C(CCc1ccccc1)N1CCC(CNc2ncccn2)CC1
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| InChI |
InChI=1S/C19H24N4O/c24-18(8-7-16-5-2-1-3-6-16)23-13-9-17(10-14-23)15-22-19-20-11-4-12-21-19/h1-6,11-12,17H,7-10,13-15H2,(H,20,21,22)
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| InChIKey |
VKCFTTCFIPFHON-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