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Sarcotrine B
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NAMES
  • SARCOTRINE B
SMILES
CC1=C(O)[C@H](C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC2=CCN(CCc3ccccc3)C2=O)OC1=O
InChI
InChI=1S/C33H43NO4/c1-24(13-9-15-26(3)23-30-31(35)27(4)33(37)38-30)11-8-12-25(2)14-10-18-29-20-22-34(32(29)36)21-19-28-16-6-5-7-17-28/h5-8,11-12,15-17,20,24,30,35H,9-10,13-14,18-19,21-23H2,1-4H3/b11-8+,25-12+,26-15-/t24-,30+/m1/s1
MOLECULAR FORMULA
C33H43NO4
CROSS REFERENCES
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Sarcotrine B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 517.32
AlogP 7.18
HBond donors 1
HBond acceptors 5
Atoms 81
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Sarcotrine B.