PDB CCD ID: | 0LW |
Number of entries in BioLiP: | 1 |
Chemical formula: | C20 H23 N O S |
InChI: | InChI=1S/C20H23NOS/c22-15(14-21-11-5-6-12-21)13-18-16-7-1-3-9-19(16)23-20-10-4-2-8-17(18)20/h1-4,7-10,15,18,22H,5-6,11-14H2/t15-/m1/s1 |
InChIKey: | SJCVUEZFZDNDKT-OAHLLOKOSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | O[CH](C[CH]1c2ccccc2Sc3ccccc13)CN4CCCC4 | ACDLabs 12.01 | OC(CN1CCCC1)CC3c4c(Sc2c3cccc2)cccc4 | CACTVS 3.370 | O[C@H](C[C@H]1c2ccccc2Sc3ccccc13)CN4CCCC4 | OpenEye OEToolkits 1.7.6 | c1ccc2c(c1)C(c3ccccc3S2)CC(CN4CCCC4)O | OpenEye OEToolkits 1.7.6 | c1ccc2c(c1)C(c3ccccc3S2)C[C@H](CN4CCCC4)O |
|
Name: | (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol |
ZINC: | ZINC000095580771 |