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9-N-ISOBUTYLMANZAMINE A
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NAMES
  • 9-N-Isobutylmanzamine A
SMILES
CC(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C\CCCCN6[C@@H]43)C5)c21
InChI
InChI=1S/C40H52N4O/c1-29(2)27-44-35-17-11-10-16-31(35)32-18-21-41-36(37(32)44)33-26-40(45)20-12-6-3-4-7-13-22-42-24-19-34(33)39(28-42)25-30-15-9-5-8-14-23-43(30)38(39)40/h3,6,9-11,15-18,21,26,29-30,34,38,45H,4-5,7-8,12-14,19-20,22-25,27-28H2,1-2H3/b6-3-,15-9-/t30-,34-,38+,39-,40-/m0/s1
MOLECULAR FORMULA
C40H52N4O
CROSS REFERENCES
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9-N-ISOBUTYLMANZAMINE A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 604.41
AlogP 7.99
HBond donors 1
HBond acceptors 5
Atoms 97
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 9-N-ISOBUTYLMANZAMINE A.