General Information of the Compound
| Compound ID |
CP0395210
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| Compound Name |
3-[2-(4-Methyl-piperazin-1-yl)-ethyl]-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C17H22N6
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| Molecular Weight |
310.405
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| Canonical SMILES |
CN1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C17H22N6/c1-21-6-8-22(9-7-21)5-4-14-11-18-17-3-2-15(10-16(14)17)23-12-19-20-13-23/h2-3,10-13,18H,4-9H2,1H3
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| InChIKey |
YOIQHSYPJYUDKZ-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