General Information of the Compound
| Compound ID |
CP0852852
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| Compound Name |
N-{Imino-[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}guanidine dihydrochloride
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| Structure |
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| Formula |
C10H18Cl2N8
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| Molecular Weight |
321.216
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| Canonical SMILES |
Cl.Cl.N=C(N)/N=C(\N)N1CCN(c2ncccn2)CC1
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| InChI |
InChI=1S/C10H16N8.2ClH/c11-8(12)16-9(13)17-4-6-18(7-5-17)10-14-2-1-3-15-10;;/h1-3H,4-7H2,(H5,11,12,13,16);2*1H
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| InChIKey |
HWFNNZRBTGBIEH-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT06391, Trace amine-associated receptor 5