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Chemistry

Mol. Mass

482.61

ALogP

2.23

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CS(=O)(=O)N1CCC(c2ccc(-c3ncc4nccnc4c3NC[C@@H]3CNCCO3)cc2)CC1
  • InChIKey: BRCHZKBUGSKTND-FQEVSTJZSA-N
    InChI=1S/C24H30N6O3S/c1-34(31,32)30-11-6-18(7-12-30)17-2-4-19(5-3-17)22-24(28-15-20-14-25-10-13-33-20)23-21(16-29-22)26-8-9-27-23/h2-5,8-9,16,18,20,25,28H,6-7,10-15H2,1H3/t20-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545301   ChEMBL
hmpl-523

CHEMBL5095034   ChEMBL
sovleplenib

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