Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L97AQO
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| Ligand Name |
(4~{s})-4-Methyl-~{n}-[3-[(4-Methylpiperazin-1-Yl)methyl]-5-(Trifluoromethyl)phenyl]-2-Pyrimidin-5-Yl-3,4-Dihydro-1~{h}-Isoquinoline-7-Carboxamide
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| Synonyms |
(4~{s})-4-Methyl-~{n}-[3-[(4-Methylpiperazin-1-Yl)methyl]-5-(Trifluoromethyl)phenyl]-2-Pyrimidin-5-Yl-3,4-Dihydro-1~{h}-Isoquinoline-7-Carboxamide; CHEMBL4453539; SCHEMBL19281495; BDBM410085; US10370360, Example 37; Q27456085; 5WR
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| Structure |
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Download2D MOL |
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| Formula |
C28H31F3N6O
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| Canonical SMILES |
CC1CN(CC2=C1C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCN(CC4)C)C5=CN=CN=C5
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| InChI |
1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m1/s1
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| InChIKey |
YXESXLYKZKCWFJ-LJQANCHMSA-N
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| PubChem Compound ID | ||||
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