Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LED1O9
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| Ligand Name |
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
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| Synonyms |
(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE; 4IG; 1,4-benzoxazin-3-one, 17; CHEMBL239746; BDBM17980; diaminopyrimidine renin inhibitor compound, 8; 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
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| Structure |
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Download2D MOL |
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| Formula |
C24H25F2N5O3
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| Canonical SMILES |
CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)OC(C(=O)N3CCCOC)C4=CC(=CC(=C4)F)F
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| InChI |
1S/C24H25F2N5O3/c1-3-17-20(22(27)30-24(28)29-17)13-5-6-19-18(11-13)31(7-4-8-33-2)23(32)21(34-19)14-9-15(25)12-16(26)10-14/h5-6,9-12,21H,3-4,7-8H2,1-2H3,(H4,27,28,29,30)
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| InChIKey |
KHZQOXQOUCGGGA-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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