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Karavoate J
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NAMES
  • Karavoate J
SMILES
CO[C@H]1C=C2[C@@H](CC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@@]3(C)[C@H]12
InChI
InChI=1S/C45H58N2O9/c1-27(2)24-33(55-40(48)29-10-14-31(15-11-29)46(50)51)25-28(3)34-20-21-45(8)39-37(54-9)26-36-35(43(39,6)22-23-44(34,45)7)18-19-38(42(36,4)5)56-41(49)30-12-16-32(17-13-30)47(52)53/h10-17,24,26,28,33-35,37-39H,18-23,25H2,1-9H3/t28-,33+,34-,35-,37+,38+,39-,43+,44-,45+/m1/s1
MOLECULAR FORMULA
C45H58N2O9
CROSS REFERENCES
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Karavoate J

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 770.41
AlogP 10.48
HBond donors 0
HBond acceptors 11
Atoms 114
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 Karavoate J.