canSAR1603018
FEATURES
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NAMES
    SMILES
    CCC1C=CC=CC[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C=CC(=O)OC2[C@@H](C)C(CC1)OC1(CC[C@@H](C)C(C[C@H](C)O)O1)[C@@H]2C
    InChI
    InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/t25-,26-,27+,28+,29+,30-,31+,32+,33-,34?,35?,36?,38+,40-,41?,42-,44+,45?/m1/s1
    MOLECULAR FORMULA
    C45H74O11
    CROSS REFERENCES
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    canSAR1603018
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight790.52
    AlogP5.88
    HBond donors5
    HBond acceptors11
    Atoms130
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1603018.