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(S)-ROSCOVITINE
FEATURES
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NAMES
  • (S)-ROSCOVITINE
SMILES
CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
InChI
InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m0/s1
MOLECULAR FORMULA
C19H26N6O
CROSS REFERENCES
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(S)-ROSCOVITINE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 354.22
AlogP 3.20
HBond donors 3
HBond acceptors 7
Atoms 52
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by (S)-ROSCOVITINE.