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37M
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NAMES
  • 37M
SMILES
COc1ccc(CCC(OC(=O)C2CCCCN2C(=O)C(c2cc(OC)c(OC)c(OC)c2)C2C=CCCC2)c2cccc(OCC(=O)NCc3c(O)ccc4c(-c5ccccc5C(=O)O)c5ccc(=O)cc-5oc34)c2)cc1OC
InChI
InChI=1S/C63H64N2O15/c1-73-51-28-22-37(30-53(51)74-2)21-27-50(80-63(72)48-20-11-12-29-65(48)61(69)57(38-14-7-6-8-15-38)40-32-54(75-3)60(77-5)55(33-40)76-4)39-16-13-17-42(31-39)78-36-56(68)64-35-47-49(67)26-25-46-58(43-18-9-10-19-44(43)62(70)71)45-24-23-41(66)34-52(45)79-59(46)47/h7,9-10,13-14,16-19,22-26,28,30-34,38,48,50,57,67H,6,8,11-12,15,20-21,27,29,35-36H2,1-5H3,(H,64,68)(H,70,71)/t38-,48+,50-,57+/m1/s1
MOLECULAR FORMULA
C63H64N2O15
CROSS REFERENCES
  • UniChem: 91699613
  • canSAR: 1723717
  • PDBe (Protein Data Bank Europe): 37M
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37M

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1088.43
AlogP 10.45
HBond donors 3
HBond acceptors 17
Atoms 144
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 37M.