General Information of the Compound
| Compound ID |
CP0270460
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| Compound Name |
3-[4-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-3-methylphenoxy]-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
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| Structure |
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| Formula |
C23H26FN5O
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| Molecular Weight |
407.493
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| Canonical SMILES |
Cc1cc(OCCCNCCc2cnc[nH]2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
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| InChI |
InChI=1S/C23H26FN5O/c1-15-12-18(30-11-3-9-25-10-8-17-13-26-14-27-17)4-5-19(15)23-28-21-7-6-20(24)16(2)22(21)29-23/h4-7,12-14,25H,3,8-11H2,1-2H3,(H,26,27)(H,28,29)
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| InChIKey |
DTGZGHPOXFQXNP-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: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor
Protein ID: PT04730, Histamine H4 receptor