PDB CCD ID: | 0SF |
Number of entries in BioLiP: | 1 |
Chemical formula: | C24 H21 Cl F7 N3 O3 |
InChI: | InChI=1S/C24H21ClF7N3O3/c1-2-15-11-16(6-7-18(15)25)37-20-8-9-33-22(34-20)35(13-19(36)23(28,29)30)12-14-4-3-5-17(10-14)38-24(31,32)21(26)27/h3-11,19,21,36H,2,12-13H2,1H3/t19-/m1/s1 |
InChIKey: | BTIIJGFMCVLCET-LJQANCHMSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)CC(C(F)(F)F)O | ACDLabs 12.01 | FC(F)C(F)(F)Oc1cccc(c1)CN(c3nc(Oc2cc(c(Cl)cc2)CC)ccn3)CC(O)C(F)(F)F | CACTVS 3.370 | CCc1cc(Oc2ccnc(n2)N(C[C@@H](O)C(F)(F)F)Cc3cccc(OC(F)(F)C(F)F)c3)ccc1Cl | OpenEye OEToolkits 1.7.6 | CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)C[C@H](C(F)(F)F)O | CACTVS 3.370 | CCc1cc(Oc2ccnc(n2)N(C[CH](O)C(F)(F)F)Cc3cccc(OC(F)(F)C(F)F)c3)ccc1Cl |
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Name: | (2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol |
ZINC: | ZINC000098207860 |