General Information of the Compound
| Compound ID |
CP0378019
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| Compound Name |
8-(4-Ethoxycarbonyl-piperidin-1-ylmethyl)-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalene-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C21H26N2O6
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| Molecular Weight |
402.447
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| Canonical SMILES |
CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(cc4c3O2)C(=O)OC)CC1
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| InChI |
InChI=1S/C21H26N2O6/c1-3-27-20(24)13-6-8-23(9-7-13)11-14-12-28-18-5-4-16-15(19(18)29-14)10-17(22-16)21(25)26-2/h4-5,10,13-14,22H,3,6-9,11-12H2,1-2H3
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| InChIKey |
LWBZBWXDCWJUBA-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: PT01005, D(2) dopamine receptor