General Information of the Compound
| Compound ID |
CP0468052
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| Compound Name |
2-benzyl-1-cyano-3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]guanidine
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| Structure |
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| Formula |
C19H24N8
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| Molecular Weight |
364.457
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| Canonical SMILES |
N#CN=C(NCc1ccccc1)NN1CCC(CNc2ncccn2)CC1
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| InChI |
InChI=1S/C19H24N8/c20-15-25-19(24-13-16-5-2-1-3-6-16)26-27-11-7-17(8-12-27)14-23-18-21-9-4-10-22-18/h1-6,9-10,17H,7-8,11-14H2,(H,21,22,23)(H2,24,25,26)
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| InChIKey |
ZDRPBJDDRMAOKL-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