General Information of the Compound
| Compound ID |
CP0449397
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| Compound Name |
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-piperazin-1-yl-ethanone
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| Structure |
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| Formula |
C16H22N4O2
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| Molecular Weight |
302.378
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| Canonical SMILES |
NCCc1c[nH]c2ccc(OCC(=O)N3CCNCC3)cc12
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| InChI |
InChI=1S/C16H22N4O2/c17-4-3-12-10-19-15-2-1-13(9-14(12)15)22-11-16(21)20-7-5-18-6-8-20/h1-2,9-10,18-19H,3-8,11,17H2
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| InChIKey |
LOMRCCDOEXSAMD-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D