General Information of the Compound
| Compound ID |
CP0416088
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| Compound Name |
ethyl 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C23H35N3O4
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| Molecular Weight |
417.55
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| Canonical SMILES |
CCOC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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| InChI |
InChI=1S/C23H35N3O4/c1-3-29-23(28)26-15-13-24(14-16-26)18-22(27)20-7-9-21(10-8-20)30-17-5-12-25-11-4-6-19(25)2/h7-10,19H,3-6,11-18H2,1-2H3/t19-/m1/s1
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| InChIKey |
OXYHPPLQRMOLJS-LJQANCHMSA-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