General Information of the Compound
| Compound ID |
CP0848620
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| Compound Name |
(E)-5-((7-bromo-1H-indol-3-yl)methylene)-2-iminoimidazolidin-4-one
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| Formula |
C12H9BrN4O
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| Molecular Weight |
305.135
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| Canonical SMILES |
N=C1NC(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1
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| InChI |
InChI=1S/C12H9BrN4O/c13-8-3-1-2-7-6(5-15-10(7)8)4-9-11(18)17-12(14)16-9/h1-5,15H,(H3,14,16,17,18)/b9-4+
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| InChIKey |
LWVFMDTWYOYNOZ-RUDMXATFSA-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: PT02507, 5-hydroxytryptamine receptor 1E
Protein ID: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6