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canSAR650107
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC1=O
    InChI
    InChI=1S/C62H87N13O13/c1-34(2)27-42-54(80)73-48(31-38-17-11-8-12-18-38)62(88)75-26-14-20-49(75)60(86)72-45(30-39-21-23-40(76)24-22-39)56(82)69-44(29-37-15-9-7-10-16-37)55(81)70-47(33-51(65)78)58(84)71-46(32-50(64)77)57(83)68-43(28-35(3)4)59(85)74-52(36(5)6)61(87)66-41(19-13-25-63)53(79)67-42/h7-12,15-18,21-24,34-36,41-49,52,76H,13-14,19-20,25-33,63H2,1-6H3,(H2,64,77)(H2,65,78)(H,66,87)(H,67,79)(H,68,83)(H,69,82)(H,70,81)(H,71,84)(H,72,86)(H,73,80)(H,74,85)/t41-,42-,43-,44-,45-,46-,47-,48+,49-,52-/m0/s1
    MOLECULAR FORMULA
    C62H87N13O13
    CROSS REFERENCES
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    canSAR650107

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1221.65
    AlogP -0.97
    HBond donors 16
    HBond acceptors 26
    Atoms 175
    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 canSAR650107.