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KMI-749
FEATURES
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NAMES
  • KMI-749
SMILES
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1ccccc1O
InChI
InChI=1S/C32H45N5O8/c1-18(2)16-24(36-31(44)27(19(3)4)37-29(42)21(33)14-15-26(39)40)30(43)35-23(17-20-10-6-5-7-11-20)28(41)32(45)34-22-12-8-9-13-25(22)38/h5-13,18-19,21,23-24,27-28,38,41H,14-17,33H2,1-4H3,(H,34,45)(H,35,43)(H,36,44)(H,37,42)(H,39,40)/t21-,23-,24-,27-,28+/m0/s1
MOLECULAR FORMULA
C32H45N5O8
CROSS REFERENCES
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KMI-749

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 627.33
AlogP 1.28
HBond donors 9
HBond acceptors 13
Atoms 90
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 KMI-749.