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canSAR1145160
FEATURES
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NAMES
    SMILES
    C=CC[C@@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)P(=O)(OCC)OCC
    InChI
    InChI=1S/C51H70N5O10P/c1-9-17-40(67(62,65-12-4)66-13-5)53-45(58)51(61)43-49(22-25-56-23-16-21-48(11-3,42(49)56)44(51)57)35-26-36(39(63-7)27-38(35)54(43)6)50(46(59)64-8)29-32-28-47(60,10-2)31-55(30-32)24-20-34-33-18-14-15-19-37(33)52-41(34)50/h9,14-16,18-19,21,26-27,32,40,42-44,52,57,60-61H,1,10-13,17,20,22-25,28-31H2,2-8H3,(H,53,58)/t32-,40+,42+,43-,44-,47+,48-,49-,50+,51+/m1/s1
    MOLECULAR FORMULA
    C51H70N5O10P
    CROSS REFERENCES
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    canSAR1145160

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 943.49
    AlogP 5.53
    HBond donors 5
    HBond acceptors 15
    Atoms 137
    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 canSAR1145160.