TAK-981

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 11
Total Number of Articles : 4
PubChem 118628567
Molecular Formula

C25H28ClN5O5S2

SMILES

CC1=C(C=C(S1)C(=O)C2=CN=CN=C2N[C@@H]3C[C@@H]([C@H](C3)O)COS(=O)(=O)N)[C@H]4C5=C(CCN4)C=CC(=C5)Cl

InChI

InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1

synonyms
  • Subasumstat
  • TAK-981
  • Subasumstat [USAN]
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Properties
Property Value
MW 578.1 g/mol
HBD 4
HBA 11
Rotatable Bond Count 8
Exact Mass 577.1220391 g/mol
Monoisotopic Mass 577.1220391 g/mol
Heavy Atom Count 38
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 942
xlogp 3.5
Topological Polar Surface Area 193