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Small molecule Experimental

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Chemistry

Mol. Mass

475.55

ALogP

3.78

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)NC(=O)c1ccc2c(c1)[C@]1(CCO2)C[C@H]1C(=O)Nc1cc(C#N)ccc1CCCC(=O)O
  • InChIKey: QSRLBYGDVFRMPT-IDISGSTGSA-N
    InChI=1S/C27H29N3O5/c1-16(2)29-25(33)19-8-9-23-20(13-19)27(10-11-35-23)14-21(27)26(34)30-22-12-17(15-28)6-7-18(22)4-3-5-24(31)32/h6-9,12-13,16,21H,3-5,10-11,14H2,1-2H3,(H,29,33)(H,30,34)(H,31,32)/t21-,27-/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314911   ChEMBL
bms-986310

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