General Information of the Compound
| Compound ID |
CP0372894
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| Compound Name |
3-(2-Pyrrolidin-1-yl-ethyl)-5-[1,2,4]triazol-4-yl-1H-indole
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| Synonyms |
3-(2-Pyrrolizinoethyl)-5-(4H-1,2,4-triazol-4-yl)-1H-indole
BDBM50060419
CHEMBL116092
L-747201
L010227
SCHEMBL9075818
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| Structure |
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| Formula |
C16H19N5
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| Molecular Weight |
281.363
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| Canonical SMILES |
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCCC1
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| InChI |
InChI=1S/C16H19N5/c1-2-7-20(6-1)8-5-13-10-17-16-4-3-14(9-15(13)16)21-11-18-19-12-21/h3-4,9-12,17H,1-2,5-8H2
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| InChIKey |
WYXPLVWYFDBFBS-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
Clinical Information about the Compound