General Information of the Compound
| Compound ID |
CP0399719
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| Compound Name |
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
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| Structure |
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| Formula |
C25H33N3O4
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| Molecular Weight |
439.556
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccco1
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| InChI |
InChI=1S/C25H33N3O4/c1-20-5-2-11-27(20)12-4-18-31-22-9-7-21(8-10-22)23(29)19-26-13-15-28(16-14-26)25(30)24-6-3-17-32-24/h3,6-10,17,20H,2,4-5,11-16,18-19H2,1H3/t20-/m1/s1
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| InChIKey |
TXUQRJZCUVIQAO-HXUWFJFHSA-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: PT01173, Histamine H3 receptor