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canSAR834710
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)CC)[C@@H](C)CC
    InChI
    InChI=1S/C128H223N53O24/c1-14-70(10)97(117(203)160-65-96(185)163-78(37-24-50-152-121(134)135)101(187)165-80(39-26-52-154-123(138)139)103(189)167-82(41-28-54-156-125(142)143)105(191)169-84(43-30-56-158-127(146)147)107(193)170-83(42-29-55-157-126(144)145)106(192)168-81(40-27-53-155-124(140)141)104(190)166-79(38-25-51-153-122(136)137)102(188)164-77(100(131)186)36-23-49-151-120(132)133)180-110(196)85(44-31-57-159-128(148)149)171-114(200)91(61-74-32-19-17-20-33-74)176-115(201)93(63-76-64-150-66-161-76)179-119(205)99(72(12)16-3)181-116(202)92(62-75-34-21-18-22-35-75)177-113(199)89(59-68(6)7)175-112(198)88(58-67(4)5)174-109(195)87(46-48-95(130)184)172-108(194)86(45-47-94(129)183)173-111(197)90(60-69(8)9)178-118(204)98(71(11)15-2)162-73(13)182/h17-22,32-35,64,66-72,77-93,97-99H,14-16,23-31,36-63,65H2,1-13H3,(H2,129,183)(H2,130,184)(H2,131,186)(H,150,161)(H,160,203)(H,162,182)(H,163,185)(H,164,188)(H,165,187)(H,166,190)(H,167,189)(H,168,192)(H,169,191)(H,170,193)(H,171,200)(H,172,194)(H,173,197)(H,174,195)(H,175,198)(H,176,201)(H,177,199)(H,178,204)(H,179,205)(H,180,196)(H,181,202)(H4,132,133,151)(H4,134,135,152)(H4,136,137,153)(H4,138,139,154)(H4,140,141,155)(H4,142,143,156)(H4,144,145,157)(H4,146,147,158)(H4,148,149,159)/t70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,97-,98-,99-/m0/s1
    MOLECULAR FORMULA
    C128H223N53O24
    CROSS REFERENCES
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    canSAR834710

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2886.79
    AlogP -11.07
    HBond donors 64
    HBond acceptors 77
    Atoms 428
    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 canSAR834710.