General Information of the Compound
| Compound ID |
CP0447758
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| Compound Name |
(4-fluorophenyl) 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 |
C27H34FN3O4
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| Molecular Weight |
483.584
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C27H34FN3O4/c1-21-4-2-13-30(21)14-3-19-34-24-9-5-22(6-10-24)26(32)20-29-15-17-31(18-16-29)27(33)35-25-11-7-23(28)8-12-25/h5-12,21H,2-4,13-20H2,1H3/t21-/m1/s1
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| InChIKey |
IGSJOLHJKRUAEV-OAQYLSRUSA-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