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canSAR1066177
FEATURES
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NAMES
    SMILES
    C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCN2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC[C@H]1C
    InChI
    InChI=1S/C43H62ClN3O6/c1-27-12-17-43(38(50)53-25-24-45-20-22-46(23-21-45)37(49)30-26-29(44)8-10-32(30)47(51)52)19-18-41(6)31(36(43)28(27)2)9-11-34-40(5)15-14-35(48)39(3,4)33(40)13-16-42(34,41)7/h8-10,26-28,33-36,48H,11-25H2,1-7H3/t27-,28+,33+,34-,35+,36+,40+,41-,42-,43+/m1/s1
    MOLECULAR FORMULA
    C43H62ClN3O6
    CROSS REFERENCES
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    canSAR1066177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 751.43
    AlogP 8.57
    HBond donors 1
    HBond acceptors 9
    Atoms 115
    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 canSAR1066177.