General Information of the Compound
| Compound ID |
CP0275909
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| Compound Name |
N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C24H29N5O3
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| Molecular Weight |
435.528
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
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| InChI |
InChI=1S/C24H29N5O3/c1-17(30)27-19-2-4-20(5-3-19)28-10-12-29(13-11-28)24(31)16-32-21-6-7-23-22(14-21)18(8-9-25)15-26-23/h2-7,14-15,26H,8-13,16,25H2,1H3,(H,27,30)
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| InChIKey |
KVIJKSNSHKOAJQ-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