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B50
FEATURES
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NAMES
  • B50
SMILES
CN1CCN(CCCNC(=O)c2c(-c3ccccc3)c(-c3ccc(Cl)cc3)cn2CC[C@H](O)CO)CC1
InChI
InChI=1S/C29H37ClN4O3/c1-32-16-18-33(19-17-32)14-5-13-31-29(37)28-27(23-6-3-2-4-7-23)26(22-8-10-24(30)11-9-22)20-34(28)15-12-25(36)21-35/h2-4,6-11,20,25,35-36H,5,12-19,21H2,1H3,(H,31,37)/t25-/m0/s1
MOLECULAR FORMULA
C29H37ClN4O3
CROSS REFERENCES
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B50

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 524.26
AlogP 3.59
HBond donors 3
HBond acceptors 7
Atoms 74
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by B50.