General Information of the Compound
| Compound ID |
CP0114036
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| Compound Name |
CHEMBL2058407
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| Formula |
C13H11BrN4O
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| Molecular Weight |
319.162
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| Canonical SMILES |
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2cccc(Br)c12
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| InChI |
InChI=1S/C13H11BrN4O/c1-18-10(12(19)17-13(18)15)5-7-6-16-9-4-2-3-8(14)11(7)9/h2-6,16H,1H3,(H2,15,17,19)/b10-5+
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| InChIKey |
OKWGZHUSGHQEKM-BJMVGYQFSA-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: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00941, 5-hydroxytryptamine receptor 7