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canSAR1270969
FEATURES
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NAMES
    SMILES
    CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)N[C@@H](CSCc3ccccc3)C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)N[C@@H](CSCc3ccccc3)C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C
    InChI
    InChI=1S/C62H84N2O18S2/c1-57(2)39-18-21-62(7)49(38(65)26-34-35-27-59(4,56(77)78)23-22-58(35,3)24-25-61(34,62)6)60(39,5)20-19-40(57)79-55-48(44(69)43(68)47(81-55)51(72)64-37(53(75)76)31-84-29-33-16-12-9-13-17-33)82-54-45(70)41(66)42(67)46(80-54)50(71)63-36(52(73)74)30-83-28-32-14-10-8-11-15-32/h8-17,26,35-37,39-49,54-55,66-70H,18-25,27-31H2,1-7H3,(H,63,71)(H,64,72)(H,73,74)(H,75,76)(H,77,78)/t35-,36-,37-,39-,40-,41-,42-,43-,44-,45+,46-,47-,48+,49+,54-,55+,58+,59-,60-,61+,62+/m0/s1
    MOLECULAR FORMULA
    C62H84N2O18S2
    CROSS REFERENCES
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    canSAR1270969

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1208.52
    AlogP 5.08
    HBond donors 10
    HBond acceptors 20
    Atoms 168
    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 canSAR1270969.