General Information of the Compound
| Compound ID |
CP0123612
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| Compound Name |
methyl 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 |
C22H33N3O4
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| Molecular Weight |
403.523
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| Canonical SMILES |
COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1
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| InChI |
InChI=1S/C22H33N3O4/c1-18-5-3-10-24(18)11-4-16-29-20-8-6-19(7-9-20)21(26)17-23-12-14-25(15-13-23)22(27)28-2/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1
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| InChIKey |
ZPGZREGNFRDDSM-GOSISDBHSA-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