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canSAR988931
FEATURES
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NAMES
    SMILES
    C/C=C1/NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)CC(O)CCCCCCCCCCC)COC(=O)[C@H]([C@H](O)CCl)NC(=O)[C@H]([C@H](O)C(=O)NC2CCC2)NC1=O
    InChI
    InChI=1S/C55H94ClN13O18/c1-4-6-7-8-9-10-11-12-13-19-32(71)26-40(73)61-38-29-87-55(86)43(39(72)28-56)68-53(84)44(45(76)54(85)60-31-17-16-18-31)69-46(77)33(5-2)62-52(83)42(30(3)70)67-49(80)36(22-25-59)64-47(78)34(20-14-15-23-57)63-50(81)37(27-41(74)75)66-48(79)35(21-24-58)65-51(38)82/h5,30-32,34-39,42-45,70-72,76H,4,6-29,57-59H2,1-3H3,(H,60,85)(H,61,73)(H,62,83)(H,63,81)(H,64,78)(H,65,82)(H,66,79)(H,67,80)(H,68,84)(H,69,77)(H,74,75)/b33-5+/t30-,32?,34-,35+,36-,37-,38-,39+,42-,43-,44-,45-/m0/s1
    MOLECULAR FORMULA
    C55H94ClN13O18
    CROSS REFERENCES
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    canSAR988931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1259.65
    AlogP -4.58
    HBond donors 21
    HBond acceptors 31
    Atoms 181
    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 canSAR988931.