General Information of the Compound
| Compound ID |
CP0523667
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| Compound Name |
[4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C34H38FN7O
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| Molecular Weight |
579.724
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| Canonical SMILES |
Fc1ccc(Cn2c(NC3CCN(CCN4CCN(CC4)C(=O)c4cc5ccccc5[nH]4)CC3)nc3ccccc23)cc1
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| InChI |
InChI=1S/C34H38FN7O/c35-27-11-9-25(10-12-27)24-42-32-8-4-3-7-30(32)38-34(42)36-28-13-15-39(16-14-28)17-18-40-19-21-41(22-20-40)33(43)31-23-26-5-1-2-6-29(26)37-31/h1-12,23,28,37H,13-22,24H2,(H,36,38)
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| InChIKey |
LLBZLFNYOYVBFX-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