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Small molecule Experimental
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Chemistry

Mol. Mass

407.43

ALogP

2.67

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4
  • InChIKey: BAORCAMWLWRZQG-UHFFFAOYSA-N
    InChI=1S/C22H21N3O5/c1-23-4-5-25-21-14-8-19-20(30-11-29-19)9-16(14)24-10-15(21)12-6-17(27-2)18(28-3)7-13(12)22(25)26/h6-10,23H,4-5,11H2,1-3H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL191958   ChEMBL
genz-644282

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