General Information of the Compound
| Compound ID |
CP0506688
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| Compound Name |
1H-benzimidazol-2-yl-[4-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C27H30N6O2
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| Molecular Weight |
470.577
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| Canonical SMILES |
COc1ccc(CN(CCN2CCN(CC2)C(=O)c2nc3ccccc3[nH]2)c2ccccn2)cc1
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| InChI |
InChI=1S/C27H30N6O2/c1-35-22-11-9-21(10-12-22)20-33(25-8-4-5-13-28-25)19-16-31-14-17-32(18-15-31)27(34)26-29-23-6-2-3-7-24(23)30-26/h2-13H,14-20H2,1H3,(H,29,30)
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| InChIKey |
GREREVYRUNFCTM-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: PT01206, Histamine H1 receptor
Protein ID: PT01711, Histamine H4 receptor