Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDB1U6
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| Ligand Name |
3-[(4-Methylpiperazin-1-Yl)methyl]-~{n}-[(4~{r})-4-Methyl-2-Pyrimidin-5-Yl-3,4-Dihydro-1~{h}-Isoquinolin-7-Yl]-5-(Trifluoromethyl)benzamide
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| Synonyms |
CHEMBL4088388; 3-[(4-Methylpiperazin-1-Yl)methyl]-~{n}-[(4~{r})-4-Methyl-2-Pyrimidin-5-Yl-3,4-Dihydro-1~{h}-Isoquinolin-7-Yl]-5-(Trifluoromethyl)benzamide; 5X1; SCHEMBL19281467; BDBM50260029
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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)NC(=O)C3=CC(=CC(=C3)CN4CCN(CC4)C)C(F)(F)F)C5=CN=CN=C5
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| InChI |
1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-12-24(3-4-26(19)22)34-27(38)21-9-20(10-23(11-21)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-/m0/s1
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| InChIKey |
FXWGWJNBGHQODS-IBGZPJMESA-N
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| PubChem Compound ID | ||||
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