General Information of the Compound
| Compound ID |
CP0257640
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| Compound Name |
CHEMBL1170237
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| Formula |
C14H13BrN4O
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| Molecular Weight |
333.189
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| Canonical SMILES |
CN1C(=N)N(C)\C(=C\c2c[nH]c3ccc(Br)cc23)C1=O
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| InChI |
InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-4-3-9(15)6-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
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| InChIKey |
DICVBGGIAAPPNV-ZSUDRMHPSA-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
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A