Ralmitaront Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

314.39

ALogP

2.19

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C
  • InChIKey: XHHXGKRFUPEPFM-OAHLLOKOSA-N
    InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594376   ChEMBL
ralmitaront

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