General Information of the Compound
| Compound ID |
CP0162751
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| Compound Name |
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl-piperazin-1-yl)-ethanone
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| Structure |
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| Formula |
C22H26N4O2
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| Molecular Weight |
378.476
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| Canonical SMILES |
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12
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| InChI |
InChI=1S/C22H26N4O2/c23-9-8-17-15-24-21-7-6-19(14-20(17)21)28-16-22(27)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-7,14-15,24H,8-13,16,23H2
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| InChIKey |
IPCSHRNCCTZQAU-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