General Information of the Compound
| Compound ID |
CP0456099
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| Compound Name |
1-cyclohexyl-3-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
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| Structure |
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| Formula |
C23H36N4O
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| Molecular Weight |
384.568
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| Canonical SMILES |
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)cc1C
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| InChI |
InChI=1S/C23H36N4O/c1-17-15-20(25-23(28)24-19-8-4-3-5-9-19)10-11-22(17)26-14-12-21(16-26)27-13-6-7-18(27)2/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H2,24,25,28)
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| InChIKey |
VMHFMQVWQIGSIQ-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: PT00577, Histamine receptor H3