General Information of the Compound
| Compound ID |
CP0454869
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| Compound Name |
3-[3-(4-Phenyl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C23H26N6
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| Molecular Weight |
386.503
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| Canonical SMILES |
C(CN1CCN(CC1)c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C23H26N6/c1-2-6-20(7-3-1)28-13-11-27(12-14-28)10-4-5-19-16-24-23-9-8-21(15-22(19)23)29-17-25-26-18-29/h1-3,6-9,15-18,24H,4-5,10-14H2
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| InChIKey |
OTZGPJGSXPXOET-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