canSAR824400
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](CCCN=C(N)N)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)N[C@@H](C)C(=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/C124H214N44O35S/c1-19-63(12)96(165-115(197)81(47-62(10)11)164-120(202)97(68(17)171)166-103(185)70(125)36-42-204-18)119(201)143-51-92(176)146-64(13)99(181)147-65(14)102(184)158-82(48-69-50-137-57-145-69)114(196)163-83(49-91(129)175)105(187)141-52-93(177)150-84(55-169)116(198)149-67(16)101(183)154-75(31-34-89(127)173)109(191)161-80(46-61(8)9)113(195)162-79(45-60(6)7)112(194)156-73(27-22-39-140-124(135)136)107(189)157-76(32-35-90(128)174)110(192)160-78(44-59(4)5)111(193)155-72(26-21-38-139-123(133)134)106(188)148-66(15)100(182)153-74(30-33-88(126)172)108(190)159-77(43-58(2)3)104(186)144-54-95(179)167-40-24-29-87(167)121(203)168-41-23-28-86(168)118(200)142-53-94(178)151-85(56-170)117(199)152-71(98(130)180)25-20-37-138-122(131)132/h50,57-68,70-87,96-97,169-171H,19-49,51-56,125H2,1-18H3,(H2,126,172)(H2,127,173)(H2,128,174)(H2,129,175)(H2,130,180)(H,137,145)(H,141,187)(H,142,200)(H,143,201)(H,144,186)(H,146,176)(H,147,181)(H,148,188)(H,149,198)(H,150,177)(H,151,178)(H,152,199)(H,153,182)(H,154,183)(H,155,193)(H,156,194)(H,157,189)(H,158,184)(H,159,190)(H,160,192)(H,161,191)(H,162,195)(H,163,196)(H,164,202)(H,165,197)(H,166,185)(H4,131,132,138)(H4,133,134,139)(H4,135,136,140)/t63-,64-,65-,66-,67-,68+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,96-,97-/m0/s1
    MOLECULAR FORMULA
    C124H214N44O35S
    CROSS REFERENCES
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    canSAR824400
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2911.60
    AlogP-17.30
    HBond donors53
    HBond acceptors79
    Atoms418
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824400.