General Information of the Compound
| Compound ID |
CP0449242
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| Compound Name |
3-{3-[4-(3-Phenyl-propyl)-piperazin-1-yl]-propyl}-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C26H32N6
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| Molecular Weight |
428.584
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| Canonical SMILES |
C(CN1CCN(CCCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C26H32N6/c1-2-6-22(7-3-1)8-4-12-30-14-16-31(17-15-30)13-5-9-23-19-27-26-11-10-24(18-25(23)26)32-20-28-29-21-32/h1-3,6-7,10-11,18-21,27H,4-5,8-9,12-17H2
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| InChIKey |
VLEMMBPSWBHHED-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