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canSAR829831
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)C(C)C
    InChI
    InChI=1S/C54H89N21O10/c1-7-29(5)42(50(83)74-41(28(3)4)48(81)72-39(23-32-25-62-27-68-32)47(80)75-43(30(6)8-2)49(82)70-37(51(84)85)18-13-21-65-54(60)61)73-40(76)26-67-45(78)36(17-12-20-64-53(58)59)69-46(79)38(22-31-24-66-35-16-10-9-14-33(31)35)71-44(77)34(55)15-11-19-63-52(56)57/h9-10,14,16,24-25,27-30,34,36-39,41-43,66H,7-8,11-13,15,17-23,26,55H2,1-6H3,(H,62,68)(H,67,78)(H,69,79)(H,70,82)(H,71,77)(H,72,81)(H,73,76)(H,74,83)(H,75,80)(H,84,85)(H4,56,57,63)(H4,58,59,64)(H4,60,61,65)/t29-,30-,34-,36-,37-,38-,39-,41-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C54H89N21O10
    CROSS REFERENCES
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    canSAR829831

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1191.71
    AlogP -2.86
    HBond donors 25
    HBond acceptors 31
    Atoms 174
    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 canSAR829831.