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KRN-5500
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NAMES
  • KRN-5500
SMILES
CCCCCCCCC/C=C/C=C/C(=O)CCC(=O)NC1[C@H](C(O)CO)O[C@H](Nc2ncnc3nc[nH]c23)[C@H](O)[C@@H]1O
InChI
InChI=1S/C29H44N6O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(37)14-15-21(39)34-22-24(40)25(41)29(42-26(22)20(38)16-36)35-28-23-27(31-17-30-23)32-18-33-28/h10-13,17-18,20,22,24-26,29,36,38,40-41H,2-9,14-16H2,1H3,(H,34,39)(H2,30,31,32,33,35)/b11-10+,13-12+/t20?,22?,24-,25-,26+,29+/m1/s1
MOLECULAR FORMULA
C29H44N6O7
CROSS REFERENCES
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KRN-5500

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 588.33
AlogP 1.65
HBond donors 7
HBond acceptors 13
Atoms 86
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 KRN-5500.