orc-13661 Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

390.9

ALogP

3.84

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1[C@H]2CC[C@@H]1c1c(sc(NC(=O)Nc3ccc(Cl)cc3)c1C(N)=O)C2
  • InChIKey: DAHGONXBHYVOPI-NWDGAFQWSA-N
    InChI=1S/C18H19ClN4O2S/c1-23-11-6-7-12(23)14-13(8-11)26-17(15(14)16(20)24)22-18(25)21-10-4-2-9(19)3-5-10/h2-5,11-12H,6-8H2,1H3,(H2,20,24)(H2,21,22,25)/t11-,12+/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4116269   ChEMBL
orc-13661

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