General Information of the Compound
| Compound ID |
CP0422756
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| Compound Name |
1-(4-Benzyl-piperazin-1-yl)-3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propan-2-ol
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| Structure |
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| Formula |
C24H28N6O
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| Molecular Weight |
416.529
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| Canonical SMILES |
OC(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C24H28N6O/c31-22(16-29-10-8-28(9-11-29)15-19-4-2-1-3-5-19)12-20-14-25-24-7-6-21(13-23(20)24)30-17-26-27-18-30/h1-7,13-14,17-18,22,25,31H,8-12,15-16H2
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| InChIKey |
QSORSTVWDXYFBM-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