General Information of the Compound
| Compound ID |
CP0867473
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| Compound Name |
3-(1H-Imidazol-4-yl)propan-1-amine bis(2,2,2-trifluoroacetate)
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| Structure |
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| Formula |
C10H13F6N3O4
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| Molecular Weight |
353.219
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| Canonical SMILES |
NCCCc1c[nH]cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C6H11N3.2C2HF3O2/c7-3-1-2-6-4-8-5-9-6;2*3-2(4,5)1(6)7/h4-5H,1-3,7H2,(H,8,9);2*(H,6,7)
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| InChIKey |
MWGXBNQATXEQSB-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor