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canSAR917888
FEATURES
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NAMES
    SMILES
    CCc1ccccc1NC(=S)NCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C
    InChI
    InChI=1S/C49H86N4O12S/c1-15-34-20-17-18-21-35(34)51-46(66)50-22-19-23-53-27-28(3)25-47(9,58)43(65-45-39(54)36(52(12)13)24-29(4)61-45)30(5)40(64-38-26-48(10,60-14)42(56)33(8)62-38)31(6)44(57)63-37(16-2)49(11,59)41(55)32(53)7/h17-18,20-21,28-33,36-43,45,54-56,58-59H,15-16,19,22-27H2,1-14H3,(H2,50,51,66)/t28-,29-,30+,31-,32-,33+,36+,37-,38+,39-,40+,41-,42+,43-,45+,47-,48-,49-/m1/s1
    MOLECULAR FORMULA
    C49H86N4O12S
    CROSS REFERENCES
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    canSAR917888

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 954.60
    AlogP 4.21
    HBond donors 7
    HBond acceptors 16
    Atoms 152
    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 canSAR917888.