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Relacatib
FEATURES
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NAMES
  • Relacatib
  • SB-462795
SMILES
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O
InChI
InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
MOLECULAR FORMULA
C27H32N4O6S
CROSS REFERENCES
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Relacatib

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 540.20
AlogP 2.90
HBond donors 2
HBond acceptors 10
Atoms 70
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Relacatib.