PDB CCD ID: | JK8 |
Number of entries in BioLiP: | 27 |
Chemical formula: | C21 H17 Cl N2 O2 |
InChI: | InChI=1S/C21H17ClN2O2/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(24-26-19)25-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2/t20-/m0/s1 |
InChIKey: | HHSLFPVGKCXEOG-FQEVSTJZSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | NC[CH](Oc1noc2ccc(cc12)c3ccccc3Cl)c4ccccc4 | CACTVS 3.385 | NC[C@H](Oc1noc2ccc(cc12)c3ccccc3Cl)c4ccccc4 | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C(CN)Oc2c3cc(ccc3on2)c4ccccc4Cl | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)[C@H](CN)Oc2c3cc(ccc3on2)c4ccccc4Cl |
|
Name: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine |
ChEMBL: | CHEMBL4445556 |