General Information of the Compound
| Compound ID |
CP0403914
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| Compound Name |
4-methyl-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C22H35N5O
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| Molecular Weight |
385.556
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| Canonical SMILES |
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)cc1C
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| InChI |
InChI=1S/C22H35N5O/c1-17-15-19(23-22(28)25-13-11-24(3)12-14-25)6-7-21(17)26-10-8-20(16-26)27-9-4-5-18(27)2/h6-7,15,18,20H,4-5,8-14,16H2,1-3H3,(H,23,28)
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| InChIKey |
XIGBTIXFXCZLOP-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