mrx-4 Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

530.35

ALogP

2.88

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(=O)OP(=O)(O)N(C[C@H]1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1)c1ccon1
  • InChIKey: YCRAGJLWFBGKFE-CYBMUJFWSA-N
    InChI=1S/C20H18F3N4O8P/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32)/t13-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4301914   ChEMBL
mrx-4

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