General Information of the Compound
| Compound ID |
CP0456098
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| Compound Name |
3-[acetyl(methyl)amino]-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C23H35N5O2
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| Molecular Weight |
413.566
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| Canonical SMILES |
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCC(C2)N(C)C(C)=O)cc1
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| InChI |
InChI=1S/C23H35N5O2/c1-17-5-4-12-28(17)22-11-13-26(16-22)20-8-6-19(7-9-20)24-23(30)27-14-10-21(15-27)25(3)18(2)29/h6-9,17,21-22H,4-5,10-16H2,1-3H3,(H,24,30)
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| InChIKey |
QIACIVDGXFNLRA-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