General Information of the Compound
| Compound ID |
CP0237313
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| Compound Name |
CHEMBL1173525
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| Formula |
C13H12N4O
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| Molecular Weight |
240.266
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| Canonical SMILES |
CN1C(=N)NC(=O)\C1=C/c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C13H12N4O/c1-17-11(12(18)16-13(17)14)6-8-7-15-10-5-3-2-4-9(8)10/h2-7,15H,1H3,(H2,14,16,18)/b11-6+
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| InChIKey |
AAMOMFNMMXXVGM-IZZDOVSWSA-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