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canSAR1151410
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C30H45ClN2O4S/c1-18(4-11-28(35)33-27-10-6-21(17-26(27)31)38(32,36)37)23-8-9-24-22-7-5-19-16-20(34)12-14-29(19,2)25(22)13-15-30(23,24)3/h6,10,17-20,22-25,34H,4-5,7-9,11-16H2,1-3H3,(H,33,35)(H2,32,36,37)/t18-,19-,20-,22+,23-,24+,25+,29+,30-/m1/s1
    MOLECULAR FORMULA
    C30H45ClN2O4S
    CROSS REFERENCES
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    canSAR1151410

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.28
    AlogP 6.36
    HBond donors 4
    HBond acceptors 6
    Atoms 83
    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 canSAR1151410.