781647 logo
canSAR781647
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)C2(C)[C@@H](OC(=O)NCCCCCn3c(=O)c(C)cn([C@H]4C[C@H](O)[C@@H](CO)O4)c3=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C63H74N4O20/c1-34-31-67(46-28-41(71)43(32-68)83-46)59(79)66(55(34)75)27-19-11-18-26-64-58(78)85-44-29-45-62(33-81-45,87-37(4)70)51-53(86-56(76)40-24-16-10-17-25-40)63(80)30-42(35(2)47(60(63,5)6)50(82-36(3)69)52(73)61(44,51)7)84-57(77)49(72)48(38-20-12-8-13-21-38)65-54(74)39-22-14-9-15-23-39/h8-10,12-17,20-25,31,41-46,48-51,53,68,71-72,80H,11,18-19,26-30,32-33H2,1-7H3,(H,64,78)(H,65,74)/t41-,42-,43+,44-,45+,46+,48-,49+,50+,51-,53-,61?,62-,63+/m0/s1
    MOLECULAR FORMULA
    C63H74N4O20
    CROSS REFERENCES
    781647 logo

    canSAR781647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1206.49
    AlogP 3.61
    HBond donors 6
    HBond acceptors 24
    Atoms 161
    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 canSAR781647.