General Information of the Compound
| Compound ID |
CP0136962
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| Compound Name |
3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
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| Synonyms |
1-(3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl)-4-(2-(3-fluorophenyl)ethyl)piperazine
1-(3-[5-{1,2,4-triazol-4-yl}-1h-indol-3-yl]propyl)-4-(2-{3-fluorophenyl}ethyl)piperazine
1-[3-(5-(1,2,4-Triazol-4-yl)-1H-indol-3-yl)propyl]-4-[2-(3-fluorophenyl)ethyl]piperazine
188400-51-3
1H-Indole, 3-(3-(4-(2-
3-[3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
AC1O52LD
BDBM50060437
CHEMBL292779
GTPL114
L 775606
L-775,606
L-775606
L016148
SCHEMBL7477108
ZUTQCPBDRJBADG-UHFFFAOYSA-N
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| Structure |
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| Formula |
C25H29FN6
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| Molecular Weight |
432.547
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| Canonical SMILES |
Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
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| InChI |
InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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| InChIKey |
ZUTQCPBDRJBADG-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
Cell-based Assay
Clinical Information about the Compound