General Information of the Compound
| Compound ID |
CP0374169
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| Compound Name |
3-(3-{4-[2-(4-Fluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
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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 |
Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
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| InChI |
InChI=1S/C25H29FN6/c26-22-5-3-20(4-6-22)9-11-31-14-12-30(13-15-31)10-1-2-21-17-27-25-8-7-23(16-24(21)25)32-18-28-29-19-32/h3-8,16-19,27H,1-2,9-15H2
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| InChIKey |
OIGIUWIAMJSRBS-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