General Information of the Compound
| Compound ID |
CP0335097
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| Compound Name |
benzyl 5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole-2-carboxylate
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| Structure |
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| Formula |
C21H25N3O2
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| Molecular Weight |
351.45
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C21H25N3O2/c1-22-9-11-23(12-10-22)20-8-7-18-14-24(15-19(18)13-20)21(25)26-16-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3
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| InChIKey |
UETLZTFBKJSNHG-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT02507, 5-hydroxytryptamine receptor 1E
Protein ID: PT01650, Alpha-2A adrenergic receptor
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
Protein ID: PT00871, Sodium-dependent serotonin transporter