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Small molecule Experimental
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Chemistry

Mol. Mass

329.53

ALogP

4.72

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1
  • InChIKey: BPMMYKAHRIEVDH-VOQZNFBZSA-N
    InChI=1S/C22H35NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3/t17-,21+,22-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3806158   ChEMBL
bms-986104

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