Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDPJ25
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| Ligand Name |
1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea
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| Synonyms |
CHEMBL4451136; 1-[2-[(2~{R})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{S},9~{S},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea; SCHEMBL19410086; BDBM50516095; JUZ
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| Structure |
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Download2D MOL |
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| Formula |
C26H32N4O4S
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| Canonical SMILES |
CSC1=CC=CC=C1C2CCCN2C(=O)CNC(=O)NCC3=CC4=C(C=C3)NC5CC4OCC5O
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| InChI |
1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21+,22+,23-/m0/s1
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| InChIKey |
BICVGZIZTMOLHN-AFXVXQJMSA-N
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| PubChem Compound ID | ||||
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