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Chemistry

Mol. Mass

356.47

ALogP

2.78

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)C34CC5CC(CC3C5)C4
  • InChIKey: PJBFVWGQFLYWCB-UHFFFAOYSA-N
    InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL52333   ChEMBL
rolofylline *

CHEMBL2103819   ChEMBL

Rolofylline   Wikipedia

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