Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LCZ70H
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| Ligand Name |
Dnmt3A-IN-1
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| Synonyms |
DNMT3A-IN-1; CHEMBL2171452; MMV690028; 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one; DNMT3A inhibitor 1; CHEBI:181318; GLXC-26043; BDBM50397078; VFU-13525; HY-144433; CS-0380327; J3.498.906K; SR-05000022489; SR-05000022489-1; 2-cycloheptyl-5-[4-methoxy-3-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethylpyrazol-3-one; 5-(3-(4-(4-(2H-Tetrazol-5-yl)phenoxy)butoxy)-4-methoxyphenyl)-2-cycloheptyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
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| Structure |
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Download2D MOL |
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| Formula |
C30H38N6O4
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| Canonical SMILES |
CC1(C(=NN(C1=O)C2CCCCCC2)C3=CC(=C(C=C3)OC)OCCCCOC4=CC=C(C=C4)C5=NNN=N5)C
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| InChI |
1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
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| InChIKey |
JPXAIORZGBCHIB-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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