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canSAR1688985
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H]1NC(=O)[C@H](NC(C)=O)CSSC[C@H](C(N)=O)NC(=O)[C@@H](CCC[N-]C(N)=[NH2+])NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C1=O
    InChI
    InChI=1S/C46H71N17O14S2/c1-4-23(2)36-44(75)62-17-7-10-33(62)43(74)58-27(8-5-15-52-45(48)49)38(69)54-20-34(65)56-30(19-35(66)67)41(72)59-29(18-25-11-13-26(14-12-25)63(76)77)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-78-79-22-32(42(73)61-36)55-24(3)64/h11-14,23,27-33,36H,4-10,15-22H2,1-3H3,(H19,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,64,65,66,67,68,69,70,71,72,73,74)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
    MOLECULAR FORMULA
    C46H71N17O14S2
    CROSS REFERENCES
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    canSAR1688985

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1149.48
    AlogP -5.45
    HBond donors 19
    HBond acceptors 31
    Atoms 150
    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 canSAR1688985.