General Information of the Compound
| Compound ID |
CP0056131
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| Compound Name |
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(3-methoxy-phenyl)-piperazin-1-yl]-ethanone
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| Structure |
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| Formula |
C23H28N4O3
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| Molecular Weight |
408.502
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
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| InChI |
InChI=1S/C23H28N4O3/c1-29-19-4-2-3-18(13-19)26-9-11-27(12-10-26)23(28)16-30-20-5-6-22-21(14-20)17(7-8-24)15-25-22/h2-6,13-15,25H,7-12,16,24H2,1H3
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| InChIKey |
JXZFKONVCRZNRZ-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