cpi-0209 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

562.13

ALogP

4.67

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC1CN([C@H]2CC[C@H]([C@@]3(C)Oc4c(Cl)cc(C(=O)NCc5c(SC)cc(C)[nH]c5=O)c(C)c4O3)CC2)C1
  • InChIKey: CAAWBLRXQXMGHV-JAGNJQOISA-N
    InChI=1S/C28H36ClN3O5S/c1-15-10-23(38-5)21(27(34)31-15)12-30-26(33)20-11-22(29)25-24(16(20)2)36-28(3,37-25)17-6-8-18(9-7-17)32-13-19(14-32)35-4/h10-11,17-19H,6-9,12-14H2,1-5H3,(H,30,33)(H,31,34)/t17-,18-,28-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095231   ChEMBL
tulmimetostat

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