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canSAR783649
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCCC(C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O
    InChI
    InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-6-20-48-41(45)46)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-7-21-49-42(47)63)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
    MOLECULAR FORMULA
    C42H65ClN12O8
    CROSS REFERENCES
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    canSAR783649

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 900.47
    AlogP -0.17
    HBond donors 14
    HBond acceptors 20
    Atoms 128
    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 canSAR783649.