ore-1001 Report issue

Small molecule Experimental
AACT DrugBank

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Chemistry

Mol. Mass

428.32

ALogP

3.32

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O
  • InChIKey: NTCCRGGIJNDEAB-IRXDYDNUSA-N
    InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL429844   ChEMBL
ore-1001

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