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Phenyllycaconitine
FEATURES
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NAMES
  • Phenyllycaconitine
SMILES
CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C(C)[C@H](c4ccccc4)C3=O)CC[C@H](OC)C34C2[C@H](OC)[C@](O)(C13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC
InChI
InChI=1S/C43H54N2O10/c1-7-44-21-40(22-55-38(48)25-15-11-12-16-28(25)45-36(46)23(2)31(37(45)47)24-13-9-8-10-14-24)18-17-30(52-4)42-27-19-26-29(51-3)20-41(49,32(27)33(26)53-5)43(50,39(42)44)35(54-6)34(40)42/h8-16,23,26-27,29-35,39,49-50H,7,17-22H2,1-6H3/t23?,26-,27-,29+,30+,31-,32-,33+,34?,35+,39?,40+,41-,42?,43+/m1/s1
MOLECULAR FORMULA
C43H54N2O10
CROSS REFERENCES
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Phenyllycaconitine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 758.38
AlogP 3.43
HBond donors 2
HBond acceptors 12
Atoms 109
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 Phenyllycaconitine.