General Information of the Compound
| Compound ID |
CP0656487
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| Compound Name |
5-Chloro-1H-benzoimidazole-2-carboxylic acid (2-dimethylamino-ethyl)-amide
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| Structure |
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| Formula |
C12H15ClN4O
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| Molecular Weight |
266.732
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| Canonical SMILES |
CN(C)CCNC(=O)c1nc2cc(Cl)ccc2[nH]1
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| InChI |
InChI=1S/C12H15ClN4O/c1-17(2)6-5-14-12(18)11-15-9-4-3-8(13)7-10(9)16-11/h3-4,7H,5-6H2,1-2H3,(H,14,18)(H,15,16)
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| InChIKey |
VGYKBDNOSMIDBE-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