General Information of the Compound
| Compound ID |
CP0403825
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| Compound Name |
N-[3-[[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C26H31N7O
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| Molecular Weight |
457.582
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| Canonical SMILES |
CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
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| InChI |
InChI=1S/C26H31N7O/c1-20(34)30-23-6-2-4-21(14-23)17-32-12-10-31(11-13-32)9-3-5-22-16-27-26-8-7-24(15-25(22)26)33-18-28-29-19-33/h2,4,6-8,14-16,18-19,27H,3,5,9-13,17H2,1H3,(H,30,34)
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| InChIKey |
QIBWPYMXHPTSNJ-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D