Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGX2P7
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| Ligand Name |
8-(3-{[(2s)-1-Aminopropan-2-Yl]oxy}benzyl)-4-(Cyclohexylamino)-1-(3-Fluorophenyl)-1,3,8-Triazaspiro[4.5]dec-3-En-2-One
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| Synonyms |
8-(3-{[(2s)-1-Aminopropan-2-Yl]oxy}benzyl)-4-(Cyclohexylamino)-1-(3-Fluorophenyl)-1,3,8-Triazaspiro[4.5]dec-3-En-2-One; SCHEMBL593624; Q27454887
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| Structure |
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Download2D MOL |
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| Formula |
C29H38FN5O2
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| Canonical SMILES |
CC(CN)OC1=CC=CC(=C1)CN2CCC3(CC2)C(=NC4CCCCC4)NC(=O)N3C5=CC(=CC=C5)F
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| InChI |
1S/C29H38FN5O2/c1-21(19-31)37-26-12-5-7-22(17-26)20-34-15-13-29(14-16-34)27(32-24-9-3-2-4-10-24)33-28(36)35(29)25-11-6-8-23(30)18-25/h5-8,11-12,17-18,21,24H,2-4,9-10,13-16,19-20,31H2,1H3,(H,32,33,36)/t21-/m0/s1
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| InChIKey |
GJCCGBZILLQLCV-NRFANRHFSA-N
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| PubChem Compound ID | ||||
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