canSAR824251
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)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](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
    InChI
    InChI=1S/C120H205N41O35S/c1-19-61(12)94(158-112(190)78(44-60(10)11)157-117(195)95(66(17)164)159-101(179)68(121)34-39-197-18)116(194)137-48-89(169)140-62(13)97(175)141-63(14)100(178)151-79(45-67-47-131-55-139-67)111(189)156-80(46-88(125)168)104(182)135-50-91(171)145-81(53-162)113(191)143-65(16)99(177)149-73(30-33-87(124)167)107(185)154-77(43-59(8)9)110(188)155-75(41-57(4)5)108(186)142-64(15)98(176)148-72(29-32-86(123)166)106(184)153-76(42-58(6)7)109(187)150-70(25-21-36-133-120(129)130)102(180)134-49-90(170)144-71(28-31-85(122)165)105(183)152-74(40-56(2)3)103(181)138-52-93(173)160-37-23-27-84(160)118(196)161-38-22-26-83(161)115(193)136-51-92(172)146-82(54-163)114(192)147-69(96(126)174)24-20-35-132-119(127)128/h47,55-66,68-84,94-95,162-164H,19-46,48-54,121H2,1-18H3,(H2,122,165)(H2,123,166)(H2,124,167)(H2,125,168)(H2,126,174)(H,131,139)(H,134,180)(H,135,182)(H,136,193)(H,137,194)(H,138,181)(H,140,169)(H,141,175)(H,142,186)(H,143,191)(H,144,170)(H,145,171)(H,146,172)(H,147,192)(H,148,176)(H,149,177)(H,150,187)(H,151,178)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,189)(H,157,195)(H,158,190)(H,159,179)(H4,127,128,132)(H4,129,130,133)/t61-,62-,63-,64-,65-,66+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,94-,95-/m0/s1
    MOLECULAR FORMULA
    C120H205N41O35S
    CROSS REFERENCES
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    canSAR824251
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2812.52
    AlogP-16.72
    HBond donors49
    HBond acceptors76
    Atoms402
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824251.