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CGP-78850
FEATURES
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NAMES
  • CGP-78850
SMILES
CC(=O)N[C@@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2c(O)ccc3ccccc23)CCCCC1
InChI
InChI=1S/C36H46N5O9P/c1-23(42)39-29(20-24-11-13-25(14-12-24)22-51(48,49)50)34(46)41-36(17-5-2-6-18-36)35(47)40-30(21-32(37)44)33(45)38-19-7-10-28-27-9-4-3-8-26(27)15-16-31(28)43/h3-4,8-9,11-16,29-30,43H,2,5-7,10,17-22H2,1H3,(H2,37,44)(H,38,45)(H,39,42)(H,40,47)(H,41,46)(H2,48,49,50)/t29-,30-/m0/s1
MOLECULAR FORMULA
C36H46N5O9P
CROSS REFERENCES
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CGP-78850

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 723.30
AlogP 2.20
HBond donors 9
HBond acceptors 14
Atoms 97
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 CGP-78850.