General Information of the Compound
| Compound ID |
CP0468110
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| Compound Name |
3-{3-[4-(1H-Imidazol-2-ylmethyl)-piperazin-1-yl]-propyl}-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C21H26N8
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| Molecular Weight |
390.495
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| Canonical SMILES |
C(CN1CCN(Cc2ncc[nH]2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C21H26N8/c1(7-27-8-10-28(11-9-27)14-21-22-5-6-23-21)2-17-13-24-20-4-3-18(12-19(17)20)29-15-25-26-16-29/h3-6,12-13,15-16,24H,1-2,7-11,14H2,(H,22,23)
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| InChIKey |
VIRXHPTUPCUXTR-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