General Information of the Compound
| Compound ID |
CP0225367
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| Compound Name |
benzyl 5-(4-cyclopentylpiperazin-1-yl)-1,3-dihydroisoindole-2-carboxylate
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C25H31N3O2/c29-25(30-19-20-6-2-1-3-7-20)28-17-21-10-11-24(16-22(21)18-28)27-14-12-26(13-15-27)23-8-4-5-9-23/h1-3,6-7,10-11,16,23H,4-5,8-9,12-15,17-19H2
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| InChIKey |
FUWNTUBEOVLTGS-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01598, Alpha-2C adrenergic receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT04903, Sigma intracellular receptor 2