canSAR818759
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](CCCNC(=N)N)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N4)NC(=O)[C@H]([C@@H](C)CC)NC3=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2
    InChI
    InChI=1S/C119H190N42O37S6/c1-8-56(5)90-112(195)150-67(38-55(3)4)101(184)143-62(29-30-82(121)165)92(175)61(18-12-32-131-116(123)124)94(177)153-75-50-200-201-51-76-108(191)144-63(20-13-33-132-117(125)126)95(178)135-44-86(169)141-69(40-83(122)166)96(179)136-45-85(168)140-68(39-59-25-27-60(164)28-26-59)102(185)154-74-49-199-203-53-78(156-104(187)71(42-89(173)174)149-106(189)73(48-163)151-103(186)70(41-88(171)172)148-99(182)66(22-15-35-134-119(129)130)145-98(181)65(146-107(75)190)21-14-34-133-118(127)128)114(197)160-36-16-23-80(160)110(193)138-43-84(167)139-58(7)93(176)152-77(109(192)159-91(57(6)9-2)113(196)155-76)52-202-204-54-79(157-105(188)72(47-162)142-87(170)46-137-97(74)180)115(198)161-37-17-24-81(161)111(194)147-64(100(183)158-90)19-10-11-31-120/h25-28,55-58,61-81,90-91,162-164H,8-24,29-54,120H2,1-7H3,(H2,121,165)(H2,122,166)(H,135,178)(H,136,179)(H,137,180)(H,138,193)(H,139,167)(H,140,168)(H,141,169)(H,142,170)(H,143,184)(H,144,191)(H,145,181)(H,146,190)(H,147,194)(H,148,182)(H,149,189)(H,150,195)(H,151,186)(H,152,176)(H,153,177)(H,154,185)(H,155,196)(H,156,187)(H,157,188)(H,158,183)(H,159,192)(H,171,172)(H,173,174)(H4,123,124,131)(H4,125,126,132)(H4,127,128,133)(H4,129,130,134)/t56-,57-,58-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,90-,91-/m0/s1
    MOLECULAR FORMULA
    C119H190N42O37S6
    CROSS REFERENCES
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    canSAR818759
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2991.26
    AlogP-16.64
    HBond donors52
    HBond acceptors79
    Atoms394
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818759.