General Information of the Compound
| Compound ID |
CP0420354
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| Compound Name |
5-Methoxy-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)25(29)26-13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
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| InChIKey |
CPGVFFIAFKTJQY-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