PDB CCD ID: | JXV |
Number of entries in BioLiP: | 4 |
Chemical formula: | C20 H19 N3 O3 |
InChI: | InChI=1S/C20H19N3O3/c24-17(14-4-2-1-3-5-14)12-21-20-11-16(22-13-23-20)15-6-7-18-19(10-15)26-9-8-25-18/h1-7,10-11,13,17,24H,8-9,12H2,(H,21,22,23)/t17-/m0/s1 |
InChIKey: | GLHLIDXOLIDWKE-KRWDZBQOSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | c1ccc(cc1)C(CNc2cc(ncn2)c3ccc4c(c3)OCCO4)O | CACTVS 3.385 | O[C@@H](CNc1cc(ncn1)c2ccc3OCCOc3c2)c4ccccc4 | CACTVS 3.385 | O[CH](CNc1cc(ncn1)c2ccc3OCCOc3c2)c4ccccc4 | ACDLabs 12.01 | c1(ccc2c(c1)OCCO2)c3cc(ncn3)NCC(O)c4ccccc4 | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)[C@H](CNc2cc(ncn2)c3ccc4c(c3)OCCO4)O |
|
Name: | (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol |