Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8HL3P
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| Ligand Name |
18-Chloro-2-Oxo-17-[(Pyridin-4-Ylmethyl)amino]-2,3,11,12,13,14-Hexahydro-1h,10h-4,8-(Azeno)-9,15,1,3,6-Benzodioxatriazacycloheptadecine-7-Carbonitrile
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| Synonyms |
18-Chloro-2-Oxo-17-[(Pyridin-4-Ylmethyl)amino]-2,3,11,12,13,14-Hexahydro-1h,10h-4,8-(Azeno)-9,15,1,3,6-Benzodioxatriazacycloheptadecine-7-Carbonitrile; 2e9v; macrocyclic inhibitor 17h; CHEMBL220035; BDBM15275; Q27456838; 7-chloro-3-oxo-8-[(pyridin-4-ylmethyl)amino]-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile; 85A
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| Structure |
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Download2D MOL |
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| Formula |
C23H22ClN7O3
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| Canonical SMILES |
C1CCOC2=CC(=C(C=C2NC(=O)NC3=CN=C(C(=N3)OCC1)C#N)Cl)NCC4=CC=NC=C4
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| InChI |
1S/C23H22ClN7O3/c24-16-10-18-20(11-17(16)27-13-15-4-6-26-7-5-15)33-8-2-1-3-9-34-22-19(12-25)28-14-21(30-22)31-23(32)29-18/h4-7,10-11,14,27H,1-3,8-9,13H2,(H2,29,30,31,32)
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| InChIKey |
ZUEAHWHCYOLVEP-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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