siremadlin Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

555.42

ALogP

4.69

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
  • InChIKey: AGBSXNCBIWWLHD-FQEVSTJZSA-N
    InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3653256   ChEMBL
siremadlin

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