Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L39DFZ
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| Ligand Name |
2-{(1s)-1-{[(1z)-6-Chloro-3,3-Dimethyl-3,4-Dihydroisoquinolin-1(2h)-Ylidene]amino}-2-[2-Propyl-4-(1h-Pyrazol-4-Yl)thiophen-3-Yl]ethyl}pyrimidin-4(5h)-One
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| Synonyms |
2-{(1s)-1-{[(1z)-6-Chloro-3,3-Dimethyl-3,4-Dihydroisoquinolin-1(2h)-Ylidene]amino}-2-[2-Propyl-4-(1h-Pyrazol-4-Yl)thiophen-3-Yl]ethyl}pyrimidin-4(5h)-One
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| Structure |
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Download2D MOL |
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| Formula |
C27H29ClN6OS
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| Canonical SMILES |
CCCC1=C(C(=CS1)C2=CNN=C2)CC(C3=NC(=O)CC=N3)N=C4C5=C(CC(N4)(C)C)C=C(C=C5)Cl
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| InChI |
1S/C27H29ClN6OS/c1-4-5-23-20(21(15-36-23)17-13-30-31-14-17)11-22(26-29-9-8-24(35)33-26)32-25-19-7-6-18(28)10-16(19)12-27(2,3)34-25/h6-7,9-10,13-15,22H,4-5,8,11-12H2,1-3H3,(H,30,31)(H,32,34)/t22-/m0/s1
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| InChIKey |
SHQGADSMADPNBQ-QFIPXVFZSA-N
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| PubChem Compound ID | ||||
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