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Small molecule Experimental

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Chemistry

Mol. Mass

518.64

ALogP

4.83

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3c2c1NC(=O)N3c1cnc(CC(C)C)cc1C
  • InChIKey: OPLNLPWGEZNZFL-ZWKOTPCHSA-N
    InChI=1S/C27H30N6O3S/c1-5-21(34)30-17-7-6-8-18(17)31-25(35)24-23-22-19(9-10-28-26(22)37-24)33(27(36)32-23)20-13-29-16(11-14(2)3)12-15(20)4/h5,9-10,12-14,17-18H,1,6-8,11H2,2-4H3,(H,30,34)(H,31,35)(H,32,36)/t17-,18+/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314920   ChEMBL
jnj-64264681

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