Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4X9DZ
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| Ligand Name |
[(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
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| Synonyms |
[(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone; TTU
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| Structure |
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Download2D MOL |
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| Formula |
C30H32N2O3
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| Canonical SMILES |
CCN1CCC(C1)OC2=CC=C(C=C2)C3C4=C(CC5(N3C(=O)C6=CC=CC=C6)CC5)C=C(C=C4)O
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| InChI |
1S/C30H32N2O3/c1-2-31-17-14-26(20-31)35-25-11-8-21(9-12-25)28-27-13-10-24(33)18-23(27)19-30(15-16-30)32(28)29(34)22-6-4-3-5-7-22/h3-13,18,26,28,33H,2,14-17,19-20H2,1H3/t26-,28+/m0/s1
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| InChIKey |
ZNNUGLAKMQMSSA-XTEPFMGCSA-N
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| PubChem Compound ID | ||||
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