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canSAR2004274
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)C(C)C
    InChI
    InChI=1S/C119H201N35O32S/c1-20-63(12)94(116(184)136-68(17)100(168)139-77(40-42-88(159)160)105(173)141-75(37-28-31-46-122)108(176)150-91(60(6)7)97(125)165)152-107(175)72(35-26-29-44-120)137-87(158)57-131-102(170)78(43-48-187-19)140-99(167)67(16)134-109(177)81(51-71-55-128-58-132-71)144-101(169)69(18)135-114(182)93(62(10)11)151-112(180)79(49-59(4)5)145-106(174)76(39-41-84(124)155)142-103(171)73(38-32-47-129-119(126)127)138-86(157)56-130-98(166)66(15)133-110(178)82(52-89(161)162)146-104(172)74(36-27-30-45-121)143-117(185)95(64(13)21-2)154-118(186)96(65(14)22-3)153-113(181)83(53-90(163)164)147-111(179)80(50-70-33-24-23-25-34-70)148-115(183)92(61(8)9)149-85(156)54-123/h23-25,33-34,55,58-69,72-83,91-96H,20-22,26-32,35-54,56-57,120-123H2,1-19H3,(H2,124,155)(H2,125,165)(H,128,132)(H,130,166)(H,131,170)(H,133,178)(H,134,177)(H,135,182)(H,136,184)(H,137,158)(H,138,157)(H,139,168)(H,140,167)(H,141,173)(H,142,171)(H,143,185)(H,144,169)(H,145,174)(H,146,172)(H,147,179)(H,148,183)(H,149,156)(H,150,176)(H,151,180)(H,152,175)(H,153,181)(H,154,186)(H,159,160)(H,161,162)(H,163,164)(H4,126,127,129)/t63-,64-,65-,66-,67-,68-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,91-,92-,93-,94-,95-,96-/m0/s1
    MOLECULAR FORMULA
    C119H201N35O32S
    CROSS REFERENCES
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    canSAR2004274

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2664.49
    AlogP -8.75
    HBond donors 44
    HBond acceptors 67
    Atoms 388
    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 canSAR2004274.