Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG1TX6
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| Ligand Name |
1-(3-{5-[4-(Aminomethyl)phenyl]-1h-Pyrrolo[2,3-B]pyridin-3-Yl}phenyl)-3-(2-Phenoxyphenyl)urea
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| Synonyms |
1-(3-{5-[4-(Aminomethyl)phenyl]-1h-Pyrrolo[2,3-B]pyridin-3-Yl}phenyl)-3-(2-Phenoxyphenyl)urea; CHEMBL563292; CHEBI:90541; 1163303-07-8; Urea, N-[3-[5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-N'-(2-phenoxyphenyl)-; 1-(3-(5-(4-(aminomethyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)-3-(2-phenoxyphenyl)urea; 1-[3-[5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-3-(2-phenoxyphenyl)urea; BDBM50293539; Q27162607
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| Structure |
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Download2D MOL |
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| Formula |
C33H27N5O2
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| Canonical SMILES |
C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)NC3=CC=CC(=C3)C4=CNC5=C4C=C(C=N5)C6=CC=C(C=C6)CN
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| InChI |
1S/C33H27N5O2/c34-19-22-13-15-23(16-14-22)25-18-28-29(21-36-32(28)35-20-25)24-7-6-8-26(17-24)37-33(39)38-30-11-4-5-12-31(30)40-27-9-2-1-3-10-27/h1-18,20-21H,19,34H2,(H,35,36)(H2,37,38,39)
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| InChIKey |
KSTUYVHCHCYOAB-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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