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canSAR1065003
FEATURES
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NAMES
    SMILES
    COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)N[C@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O)C(=O)CN(CCCCN)C(=O)CN(CCc1ccc(O)cc1)C(=O)CNCC(C)C
    InChI
    InChI=1S/C73H122N16O18S/c1-52(2)44-78-45-65(96)88(33-24-53-16-19-55(90)20-17-53)49-67(98)87(32-11-8-27-76)48-69(100)89(34-37-104-3)50-68(99)86(31-10-7-26-75)47-66(97)85(30-9-6-25-74)46-64(95)81-57(42-54-18-22-59(91)60(92)43-54)72(102)82-56(71(77)101)21-23-63(94)80-29-13-36-106-39-41-107-40-38-105-35-12-28-79-62(93)15-5-4-14-61-70-58(51-108-61)83-73(103)84-70/h16-20,22,43,52,56-58,61,70,78,90-92H,4-15,21,23-42,44-51,74-76H2,1-3H3,(H2,77,101)(H,79,93)(H,80,94)(H,81,95)(H,82,102)(H2,83,84,103)/t56-,57?,58+,61+,70+/m1/s1
    MOLECULAR FORMULA
    C73H122N16O18S
    CROSS REFERENCES
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    canSAR1065003

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1542.88
    AlogP -1.14
    HBond donors 18
    HBond acceptors 34
    Atoms 230
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1065003.