Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LD93PN
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| Ligand Name |
(4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
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| Synonyms |
CHEMBL4468645; (4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione; SCHEMBL17550262; BDBM50519624; N0S
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| Structure |
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Download2D MOL |
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| Formula |
C31H37ClN2O5S
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| Canonical SMILES |
CC1CCC=CC(C2CCC2CN3CC4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS1(=O)=O)O
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| InChI |
1S/C31H37ClN2O5S/c1-20-5-2-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-39-29-13-9-22(16-27(29)34)30(36)33-40(20,37)38/h3,7,9-10,12-13,15-16,20,23,25,28,35H,2,4-6,8,11,14,17-19H2,1H3,(H,33,36)/b7-3+/t20-,23+,25-,28+,31+/m1/s1
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| InChIKey |
BHVJUQVROJMZJB-MQTRKTCISA-N
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| PubChem Compound ID | ||||
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