General Information of the Compound
| Compound ID |
CP0099712
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| Compound Name |
3-(2-aminoethyl)-1H-indole-5-carboxamide
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| Synonyms |
5-CT
5-carboxamidotryptamine
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| Structure |
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| Formula |
C11H13N3O
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| Molecular Weight |
203.245
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| Canonical SMILES |
NCCc1c[nH]c2ccc(cc12)C(N)=O
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| InChI |
InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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| InChIKey |
WKZLNEWVIAGNAW-UHFFFAOYSA-N
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| CAS |
74885-09-9
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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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01746, 5-hydroxytryptamine receptor 7
Clinical Information about the Compound
Drug 1 ( 5-CT )
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