tak-981 Report issue

Small molecule Experimental

Back

Chemistry

Mol. Mass

578.12

ALogP

2.74

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1sc(C(=O)c2cncnc2N[C@@H]2CC[C@H](COS(N)(=O)=O)[C@H]2O)cc1[C@@H]1NCCc2ccc(Cl)cc21
  • InChIKey: IAKPXYFFBURVCV-JWDANJKUSA-N
    InChI=1S/C25H28ClN5O5S2/c1-13-17(22-18-8-16(26)4-2-14(18)6-7-29-22)9-21(37-13)24(33)19-10-28-12-30-25(19)31-20-5-3-15(23(20)32)11-36-38(27,34)35/h2,4,8-10,12,15,20,22-23,29,32H,3,5-7,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,20-,22+,23-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095044   ChEMBL
subasumstat

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue