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canSAR1131078
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
    InChI
    InChI=1S/C67H108N26O18/c1-34(2)52(93-59(106)46(29-51(98)99)89-61(108)49(33-95)91-53(100)40(13-5-6-22-68)83-50(97)30-69)62(109)87-44(17-10-26-81-67(76)77)54(101)84-41(14-7-23-78-64(70)71)55(102)88-45(28-36-31-82-39-12-4-3-11-38(36)39)58(105)85-43(16-9-25-80-66(74)75)57(104)92-48(32-94)60(107)86-42(15-8-24-79-65(72)73)56(103)90-47(63(110)111)27-35-18-20-37(96)21-19-35/h3-4,11-12,18-21,31,34,40-49,52,82,94-96H,5-10,13-17,22-30,32-33,68-69H2,1-2H3,(H,83,97)(H,84,101)(H,85,105)(H,86,107)(H,87,109)(H,88,102)(H,89,108)(H,90,103)(H,91,100)(H,92,104)(H,93,106)(H,98,99)(H,110,111)(H4,70,71,78)(H4,72,73,79)(H4,74,75,80)(H4,76,77,81)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
    MOLECULAR FORMULA
    C67H108N26O18
    CROSS REFERENCES
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    canSAR1131078

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1564.83
    AlogP -8.67
    HBond donors 37
    HBond acceptors 44
    Atoms 219
    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 canSAR1131078.