pf-06821497 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

467.35

ALogP

3.53

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@H](OC)C3COC3)c(Cl)c2C1=O
  • InChIKey: RXCVUHMIWHRLDF-HXUWFJFHSA-N
    InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4080228   ChEMBL
pf-06821497

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