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canSAR777112
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O
    InChI
    InChI=1S/C129H211N37O48/c1-20-60(15)99(166-122(207)85(53-171)158-107(192)71(32-37-92(178)179)146-112(197)76(43-65-26-23-22-24-27-65)155-124(209)97(58(11)12)163-109(194)70(31-36-88(133)174)145-115(200)79(47-94(182)183)153-110(195)73(40-54(3)4)149-102(187)63(18)141-123(208)96(57(9)10)162-103(188)66(130)44-89(134)175)126(211)148-72(33-38-93(180)181)105(190)151-78(46-91(136)177)114(199)160-82(50-168)119(204)147-68(29-34-86(131)172)104(189)140-62(17)101(186)150-75(42-56(7)8)117(202)164-98(59(13)14)125(210)156-80(48-95(184)185)116(201)144-69(30-35-87(132)173)106(191)157-83(51-169)120(205)152-77(45-90(135)176)113(198)143-67(28-25-39-139-129(137)138)108(193)165-100(61(16)21-2)127(212)154-74(41-55(5)6)111(196)159-84(52-170)121(206)161-81(49-167)118(203)142-64(19)128(213)214/h22-24,26-27,54-64,66-85,96-100,167-171H,20-21,25,28-53,130H2,1-19H3,(H2,131,172)(H2,132,173)(H2,133,174)(H2,134,175)(H2,135,176)(H2,136,177)(H,140,189)(H,141,208)(H,142,203)(H,143,198)(H,144,201)(H,145,200)(H,146,197)(H,147,204)(H,148,211)(H,149,187)(H,150,186)(H,151,190)(H,152,205)(H,153,195)(H,154,212)(H,155,209)(H,156,210)(H,157,191)(H,158,192)(H,159,196)(H,160,199)(H,161,206)(H,162,188)(H,163,194)(H,164,202)(H,165,193)(H,166,207)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,213,214)(H4,137,138,139)/t60-,61-,62-,63-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,96-,97-,98-,99-,100-/m0/s1
    MOLECULAR FORMULA
    C129H211N37O48
    CROSS REFERENCES
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    canSAR777112

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3046.52
    AlogP -18.68
    HBond donors 55
    HBond acceptors 85
    Atoms 425
    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 canSAR777112.