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306387-90-6

306387-90-6 structural image
Product Name: 3-Keto-N-aminoethyl-Naminocaproyldihydrocinnamoyl Cyclopamine
Formula: C44H63N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 698.0 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 12
Exact Mass 697.48185750 g/mol
Monoisotopic Mass 697.48185750 g/mol
Topological Polar Surface Area 87.7 Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1370
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 7
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes