apd371 Report issue

Small molecule Experimental
AACT ChEMBL

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Chemistry

Mol. Mass

357.41

ALogP

0.7

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2c[n+]([O-])ccn2)c2c1C[C@@H]1C[C@H]21
  • InChIKey: ACSQLTBPYZSGBA-GMXVVIOVSA-N
    InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545329   ChEMBL
apd371

CHEMBL4175981   ChEMBL
olorinab

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