Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGNO71
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| Ligand Name |
4-[(2~{r},3~{a}~{s},5~{s},6~{s},6~{a}~{s})-6'-Chloranyl-6-(3-Chloranyl-2-Fluoranyl-Phenyl)-4-(Cyclopropylmethyl)-2'-Oxidanylidene-Spiro[1,2,3,3~{a},6,6~{a}-Hexahydropyrrolo[3,2-B]pyrrole-5,3'-1~{h}-Indole]-2-Yl]benzoic Acid
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| Synonyms |
BI-0252; CHEMBL4776839; SCHEMBL17167648; HY-100765; CS-0020253; 4-[(2~{r},3~{a}~{s},5~{s},6~{s},6~{a}~{s})-6'-Chloranyl-6-(3-Chloranyl-2-Fluoranyl-Phenyl)-4-(Cyclopropylmethyl)-2'-Oxidanylidene-Spiro[1,2,3,3~{a},6,6~{a}-Hexahydropyrrolo[3,2-B]pyrrole-5,3'-1~{h}-Indole]-2-Yl]benzoic Acid; 6ST
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| Structure |
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Download2D MOL |
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| Formula |
C30H26Cl2FN3O3
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| Canonical SMILES |
C1CC1CN2C3CC(NC3C(C24C5=C(C=C(C=C5)Cl)NC4=O)C6=C(C(=CC=C6)Cl)F)C7=CC=C(C=C7)C(=O)O
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| InChI |
1S/C30H26Cl2FN3O3/c31-18-10-11-20-23(12-18)35-29(39)30(20)25(19-2-1-3-21(32)26(19)33)27-24(36(30)14-15-4-5-15)13-22(34-27)16-6-8-17(9-7-16)28(37)38/h1-3,6-12,15,22,24-25,27,34H,4-5,13-14H2,(H,35,39)(H,37,38)/t22-,24+,25+,27-,30-/m1/s1
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| InChIKey |
CCPUFNJKOGKOOG-AFKAWQRRSA-N
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| PubChem Compound ID | ||||
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