PDB CCD ID: | DD5 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C22 H29 F2 N3 O4 |
InChI: | InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1 |
InChIKey: | FRVKKFLTBQINJK-QGZVFWFLSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | O[CH](CN1CCOCC1)Cn2ccc(n2)c3ccc(OC(F)F)c(OC4CCCC4)c3 | OpenEye OEToolkits 2.0.6 | c1cc(c(cc1c2ccn(n2)C[C@@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F | CACTVS 3.385 | O[C@H](CN1CCOCC1)Cn2ccc(n2)c3ccc(OC(F)F)c(OC4CCCC4)c3 | OpenEye OEToolkits 2.0.6 | c1cc(c(cc1c2ccn(n2)CC(CN3CCOCC3)O)OC4CCCC4)OC(F)F |
|
Name: | (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol |
ChEMBL: | CHEMBL5286787 |