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Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

303.39

ALogP

1.41

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O
  • InChIKey: AFUWQWYPPZFWCO-LBPRGKRZSA-N
    InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1643880   ChEMBL
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