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canSAR831310
FEATURES
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NAMES
    SMILES
    C#Cc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@H](C(C)(F)F)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43
    InChI
    InChI=1S/C48H56F2N4O8/c1-9-28-12-13-35-32(21-28)31-14-18-53-25-29(20-30(26-53)44(4,49)50)24-47(38(31)51-35,42(56)60-7)34-22-33-36(23-37(34)59-6)52(5)40-46(33)16-19-54-17-11-15-45(10-2,39(46)54)41(62-27(3)55)48(40,58)43(57)61-8/h1,11-13,15,21-23,29-30,39-41,51,58H,10,14,16-20,24-26H2,2-8H3/t29-,30-,39+,40-,41-,45-,46-,47+,48+/m1/s1
    MOLECULAR FORMULA
    C48H56F2N4O8
    CROSS REFERENCES
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    canSAR831310

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 854.41
    AlogP 5.10
    HBond donors 2
    HBond acceptors 12
    Atoms 118
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831310.