tre-515 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

502.67

ALogP

3.65

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ccc(-c2nc([C@@H](C)Sc3nc(N)cc(N)n3)c(C)s2)cc1OCCN1CCOCC1
  • InChIKey: MFVINMPRHHUSBW-OAHLLOKOSA-N
    InChI=1S/C23H30N6O3S2/c1-14-21(15(2)34-23-26-19(24)13-20(25)27-23)28-22(33-14)16-4-5-17(30-3)18(12-16)32-11-8-29-6-9-31-10-7-29/h4-5,12-13,15H,6-11H2,1-3H3,(H4,24,25,26,27)/t15-/m1/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5314932   ChEMBL
tre-515

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