<?xml version='1.0' encoding='utf-8'?>
<molecule><atc_classifications/><availability_type/><biotherapeutic/><black_box_warning/><chemical_probe/><chirality/><cross_references/><dosed_ingredient/><first_approval/><first_in_class/><helm_notation/><inorganic_flag/><max_phase>2.0</max_phase><molecule_chembl_id>CHEMBL2105525</molecule_chembl_id><molecule_hierarchy><active_chembl_id>CHEMBL2105525</active_chembl_id><molecule_chembl_id>CHEMBL2105525</molecule_chembl_id><parent_chembl_id>CHEMBL2105525</parent_chembl_id></molecule_hierarchy><molecule_properties><alogp>6.06</alogp><aromatic_rings>1</aromatic_rings><full_molformula>C24H38O3</full_molformula><full_mwt>374.57</full_mwt><hba>3</hba><hbd>2</hbd><heavy_atoms>27</heavy_atoms><mw_freebase>374.57</mw_freebase><np_likeness_score>1.75</np_likeness_score><num_ro5_violations>1</num_ro5_violations><psa>49.69</psa><qed_weighted>0.60</qed_weighted><ro3_pass>N</ro3_pass><rtb>6</rtb></molecule_properties><molecule_structures><canonical_smiles>CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(O)CC21</canonical_smiles><molfile>
     RDKit          2D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.6458    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5333   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458    1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  1  2  0
  4  3  1  0
  5  4  1  0
  6  2  1  0
  7  1  1  0
  8 10  1  0
  9  3  1  0
 10  7  2  0
 11  6  1  0
 12  8  1  0
 13  2  1  0
 14  7  1  0
 15 16  1  0
 16 13  1  0
 17  5  1  0
 18  5  1  0
 19 16  1  0
 20 12  1  0
 21 12  1  0
 22 12  1  0
 23 20  1  0
 24 25  1  0
 25 26  1  0
 26 23  1  0
 27 24  1  0
  9  8  2  0
  6  5  1  0
 11 15  1  0
M  END
&gt; &lt;chembl_id&gt;
CHEMBL2105525

&gt; &lt;chembl_pref_name&gt;
CANBISOL</molfile><standard_inchi>InChI=1S/C24H38O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,17-19,25-26H,6-12,15H2,1-5H3</standard_inchi><standard_inchi_key>UEKGZFCGRQYMRM-UHFFFAOYSA-N</standard_inchi_key></molecule_structures><molecule_synonyms><synonym><molecule_synonym>Canbisol</molecule_synonym><syn_type>INN</syn_type><synonyms>CANBISOL</synonyms></synonym><synonym><molecule_synonym>Nabidrox</molecule_synonym><syn_type>OTHER</syn_type><synonyms>NABIDROX</synonyms></synonym></molecule_synonyms><molecule_type>Small molecule</molecule_type><natural_product>1</natural_product><oral/><orphan/><parenteral/><polymer_flag/><pref_name>CANBISOL</pref_name><prodrug/><structure_type>MOL</structure_type><therapeutic_flag/><topical/><usan_stem/><usan_stem_definition/><usan_substem/><usan_year/><veterinary/><withdrawn_flag/></molecule>