General Information of the Compound
| Compound ID |
CP0146891
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| Compound Name |
CHEMBL2058408
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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]c2cc(Br)ccc12
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| InChI |
InChI=1S/C13H11BrN4O/c1-18-11(12(19)17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17,19)/b11-4+
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| InChIKey |
DLMWCHNLJCOUQC-NYYWCZLTSA-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