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canSAR1269891
FEATURES
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NAMES
    SMILES
    CC(C)C1=C(C(=O)N2[C@H](C(=O)N3CC4(CC4)NC[C@@H]3C)CC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)c(F)c3)N21
    InChI
    InChI=1S/C34H39Cl2FN6O2S/c1-18(2)27-28(31(45)42-19(3)6-10-25(42)30(44)41-17-34(12-13-34)39-15-20(41)4)46-32-40-33(5,22-8-11-26(36)38-16-22)29(43(27)32)21-7-9-23(35)24(37)14-21/h7-9,11,14,16,18-20,25,29,39H,6,10,12-13,15,17H2,1-5H3/t19-,20+,25+,29-,33+/m1/s1
    MOLECULAR FORMULA
    C34H39Cl2FN6O2S
    CROSS REFERENCES
    1269891 logo

    canSAR1269891

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 684.22
    AlogP 6.50
    HBond donors 1
    HBond acceptors 8
    Atoms 85
    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 canSAR1269891.