General Information of the Compound
| Compound ID |
CP0481811
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| Compound Name |
2-[[(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methyl]-1H-benzimidazole
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| Structure |
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| Formula |
C14H14N4
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| Molecular Weight |
238.294
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| Canonical SMILES |
C([C@@H]1C[C@H]1c1c[nH]cn1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C14H14N4/c1-2-4-12-11(3-1)17-14(18-12)6-9-5-10(9)13-7-15-8-16-13/h1-4,7-10H,5-6H2,(H,15,16)(H,17,18)/t9-,10+/m0/s1
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| InChIKey |
ABYWZGKRJFEJFL-VHSXEESVSA-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