General Information of the Compound
| Compound ID |
CP0085869
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| Compound Name |
1-(3,5-dichlorophenyl)-3-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
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| Structure |
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| Formula |
C23H28Cl2N4O
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| Molecular Weight |
447.41
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| Canonical SMILES |
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1
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| InChI |
InChI=1S/C23H28Cl2N4O/c1-15-10-20(28-9-7-21(14-28)29-8-3-4-16(29)2)5-6-22(15)27-23(30)26-19-12-17(24)11-18(25)13-19/h5-6,10-13,16,21H,3-4,7-9,14H2,1-2H3,(H2,26,27,30)
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| InChIKey |
TXYHNJMNQMYNTO-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