1085797 logo
20'-Isothiocyanovinblastine
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • 20'-Isothiocyanovinblastine
SMILES
CC[C@]1(N=C=S)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
InChI
InChI=1S/C47H57N5O8S/c1-8-43(48-27-61)23-29-24-46(41(54)58-6,37-31(15-19-51(25-29)26-43)30-13-10-11-14-34(30)49-37)33-21-32-35(22-36(33)57-5)50(4)39-45(32)17-20-52-18-12-16-44(9-2,38(45)52)40(60-28(3)53)47(39,56)42(55)59-7/h10-14,16,21-22,29,38-40,49,56H,8-9,15,17-20,23-26H2,1-7H3/t29-,38+,39-,40-,43+,44-,45-,46+,47+/m1/s1
MOLECULAR FORMULA
C47H57N5O8S
CROSS REFERENCES
1085797 logo

20'-Isothiocyanovinblastine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 851.39
AlogP 5.10
HBond donors 2
HBond acceptors 13
Atoms 118
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 20'-Isothiocyanovinblastine.