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canSAR1265301
FEATURES
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NAMES
    SMILES
    CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)CCC(=O)N[C@H]2CC[C@@]4(O)[C@H]6Cc7ccc(O)c8c7[C@@]4(CCN6C)[C@H]2O8)CC[C@@]3(O)[C@H]1C5
    InChI
    InChI=1S/C38H46N4O8/c1-41-15-13-35-29-19-3-5-23(43)31(29)49-33(35)21(9-11-37(35,47)25(41)17-19)39-27(45)7-8-28(46)40-22-10-12-38(48)26-18-20-4-6-24(44)32-30(20)36(38,34(22)50-32)14-16-42(26)2/h3-6,21-22,25-26,33-34,43-44,47-48H,7-18H2,1-2H3,(H,39,45)(H,40,46)/t21-,22-,25+,26+,33-,34-,35-,36-,37+,38+/m0/s1
    MOLECULAR FORMULA
    C38H46N4O8
    CROSS REFERENCES
    1265301 logo

    canSAR1265301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 686.33
    AlogP 1.12
    HBond donors 6
    HBond acceptors 12
    Atoms 96
    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 canSAR1265301.