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Small molecule Experimental
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Chemistry

Mol. Mass

527.62

ALogP

5.21

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1
  • InChIKey: IHOVFYSQUDPMCN-DBEBIPAYSA-N
    InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL444172   ChEMBL
zosuquidar

Zosuquidar   Wikipedia

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