General Information of the Compound
| Compound ID |
CP0420368
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| Compound Name |
8-Methoxy-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide
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| Structure |
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)C2CCCc3cccc(OC)c23)CC1
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| InChI |
InChI=1S/C26H35N3O3/c1-31-23-12-4-3-11-22(23)29-18-16-28(17-19-29)15-7-14-27-26(30)21-10-5-8-20-9-6-13-24(32-2)25(20)21/h3-4,6,9,11-13,21H,5,7-8,10,14-19H2,1-2H3,(H,27,30)
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| InChIKey |
FQRDAWJJGHRRCG-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