canSAR205932
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)CC
    InChI
    InChI=1S/C120H199N33O31/c1-23-64(17)96(116(180)140-74(32-27-28-44-121)103(167)137-78(36-41-90(124)158)105(169)142-82(47-58(5)6)109(173)138-77(35-40-89(123)157)102(166)133-66(19)99(163)136-75(33-29-45-129-120(126)127)107(171)152-97(65(18)24-2)117(181)147-81(46-57(3)4)108(172)134-67(20)100(164)150-94(62(13)14)114(178)141-80(119(183)184)38-43-93(161)162)149-92(160)55-131-101(165)86(51-70-53-130-73-31-26-25-30-72(70)73)148-115(179)95(63(15)16)151-118(182)98(68(21)154)153-113(177)85(50-61(11)12)143-106(170)79(37-42-91(125)159)139-110(174)83(48-59(7)8)144-111(175)84(49-60(9)10)145-112(176)87(52-71-54-128-56-132-71)146-104(168)76(135-69(22)155)34-39-88(122)156/h25-26,30-31,53-54,56-68,74-87,94-98,130,154H,23-24,27-29,32-52,55,121H2,1-22H3,(H2,122,156)(H2,123,157)(H2,124,158)(H2,125,159)(H,128,132)(H,131,165)(H,133,166)(H,134,172)(H,135,155)(H,136,163)(H,137,167)(H,138,173)(H,139,174)(H,140,180)(H,141,178)(H,142,169)(H,143,170)(H,144,175)(H,145,176)(H,146,168)(H,147,181)(H,148,179)(H,149,160)(H,150,164)(H,151,182)(H,152,171)(H,153,177)(H,161,162)(H,183,184)(H4,126,127,129)/t64-,65-,66-,67-,68+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,94-,95-,96-,97-,98-/m0/s1
    MOLECULAR FORMULA
    C120H199N33O31
    CROSS REFERENCES
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    canSAR205932
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2598.50
    AlogP-5.76
    HBond donors41
    HBond acceptors64
    Atoms383
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR205932.