Zelasudil Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

437.45

ALogP

3.97

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cn1nc(-c2ccc(C(=O)NCC(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1C1CC1
  • InChIKey: HSZPZEGJQCFGDE-UHFFFAOYSA-N
    InChI=1S/C22H21F2N7O/c1-31-22(27-17-9-8-16-15(10-26-29-16)19(17)12-2-3-12)28-20(30-31)13-4-6-14(7-5-13)21(32)25-11-18(23)24/h4-10,12,18H,2-3,11H2,1H3,(H,25,32)(H,26,29)(H,27,28,30)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314495   ChEMBL
zelasudil

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