Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG7LB5
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| Ligand Name |
Mcl-1 inhibitor 3
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| Synonyms |
Mcl-1 inhibitor 3; CHEMBL4446369; 2376774-73-9; (3'R,4S,6'R,7'S,8'Z,15'R)-7-Chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide; SCHEMBL22992713; BDBM50514202; HY-133015; CS-0109399; (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide; Q4D
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| Structure |
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Download2D MOL
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| Formula |
C40H52ClF2N5O7S
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| Canonical SMILES |
CN1CCC=CC(C2CCC2CN3CC4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F
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| InChI |
1S/C40H52ClF2N5O7S/c1-45(2)56(52,53)44-37(50)40(51)21-36(49)46(3)16-5-4-8-34(54-18-17-47-24-39(42,43)25-47)31-12-9-28(31)22-48-23-38(26-55-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38/h4,8,10-11,13-14,19-20,28,31,34,51H,5-7,9,12,15-18,21-26H2,1-3H3,(H,44,50)/b8-4+/t28-,31+,34-,38-,40+/m0/s1
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| InChIKey |
OCZBGAPIVMKKDK-HBUYLHAMSA-N
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| PubChem Compound ID | ||||
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