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canSAR101526
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
    InChI
    InChI=1S/C49H83N17O12/c1-5-27(4)38(65-41(72)31(10-6-20-57-47(51)52)60-39(70)30(50)24-26(2)3)44(75)64-35(25-28-14-16-29(67)17-15-28)42(73)61-32(18-19-37(68)69)40(71)62-33(11-7-21-58-48(53)54)45(76)66-23-9-13-36(66)43(74)63-34(46(77)78)12-8-22-59-49(55)56/h14-17,26-27,30-36,38,67H,5-13,18-25,50H2,1-4H3,(H,60,70)(H,61,73)(H,62,71)(H,63,74)(H,64,75)(H,65,72)(H,68,69)(H,77,78)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)/t27-,30-,31-,32-,33-,34-,35-,36-,38-/m0/s1
    MOLECULAR FORMULA
    C49H83N17O12
    CROSS REFERENCES
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    canSAR101526

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1101.64
    AlogP -3.64
    HBond donors 23
    HBond acceptors 29
    Atoms 161
    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 canSAR101526.