SL7
5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid
Created: | 2020-03-11 |
Last modified: | 2021-05-12 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 47 |
Chiral Atom Count | 0 |
Bond Count | 50 |
Aromatic Bond Count | 21 |
Chemical Component Summary | |
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Name | 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid |
Formula | C19 H18 N6 O4 |
Molecular Weight | 394.384 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN(C)c1noc(n1)c2cccc(CNc3ccc4n[nH]c(C(O)=O)c4c3)c2O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | CN(C)c1noc(n1)c2cccc(CNc3ccc4n[nH]c(C(O)=O)c4c3)c2O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H18N6O4/c1-25(2)19-21-17(29-24-19)12-5-3-4-10(16(12)26)9-20-11-6-7-14-13(8-11)15(18(27)28)23-22-14/h3-8,20,26H,9H2,1-2H3,(H,22,23)(H,27,28) |
InChIKey | InChI | 1.03 | QZFNTDYKERMDQJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155907494 |