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canSAR1012707
FEATURES
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NAMES
    SMILES
    C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc2ncccc2[nH]1
    InChI
    InChI=1S/C27H31N3O4S/c1-25-9-7-16(31)12-15(25)5-6-17-18-8-10-27(34,26(18,2)13-20(32)22(17)25)21(33)14-35-24-29-19-4-3-11-28-23(19)30-24/h3-4,7,9,11-12,17-18,20,22,32,34H,5-6,8,10,13-14H2,1-2H3,(H,28,29,30)/t17-,18-,20-,22+,25-,26-,27-/m0/s1
    MOLECULAR FORMULA
    C27H31N3O4S
    CROSS REFERENCES
    1012707 logo

    canSAR1012707

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.20
    AlogP 3.63
    HBond donors 3
    HBond acceptors 7
    Atoms 66
    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 canSAR1012707.