mk-3168 Report issue

Small molecule Imaging Experimental
AACT PubChem

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Chemistry

Mol. Mass

412.95

ALogP

4.48

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cn2)cc1
  • InChIKey: WRBFPGYDKJBYBI-SJORKVTESA-N
    InChI=1S/C21H21ClN4OS/c1-25(2)20(27)17-10-16(17)13-4-6-14(7-5-13)19-21(26(3)12-24-19)28-18-9-8-15(22)11-23-18/h4-9,11-12,16-17H,10H2,1-3H3/t16-,17+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2386558   ChEMBL
mk-3168

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