General Information of the Compound
| Compound ID |
CP0683992
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| Compound Name |
(5Z)-5-((6-bromo-1H-indol-3-yl)methylene)-2-(methylimino)imidazolidin-4-one
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| Formula |
C13H11BrN4O
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| Molecular Weight |
319.162
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| Canonical SMILES |
C/N=C1\NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)N1
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| InChI |
InChI=1S/C13H11BrN4O/c1-15-13-17-11(12(19)18-13)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17,18,19)/b11-4-
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| InChIKey |
FKXJNNCUZKOHOR-WCIBSUBMSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C