General Information of the Compound
| Compound ID |
CP0114037
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| Compound Name |
CHEMBL2058695
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| Formula |
C12H8BrN3OS
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| Molecular Weight |
322.187
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| Canonical SMILES |
Brc1ccc2[nH]cc(\C=C3/NC(=S)NC3=O)c2c1
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| InChI |
InChI=1S/C12H8BrN3OS/c13-7-1-2-9-8(4-7)6(5-14-9)3-10-11(17)16-12(18)15-10/h1-5,14H,(H2,15,16,17,18)/b10-3-
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| InChIKey |
UGCNHZMCZNNQJD-KMKOMSMNSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C