canSAR820652
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
    InChI
    InChI=1S/C119H206N52O23/c1-11-64(7)90(109(193)151-60-89(175)155-72(33-20-46-143-112(125)126)95(179)157-74(35-22-48-145-114(129)130)97(181)159-76(37-24-50-147-116(133)134)99(183)161-78(39-26-52-149-118(137)138)101(185)162-77(38-25-51-148-117(135)136)100(184)160-75(36-23-49-146-115(131)132)98(182)158-73(34-21-47-144-113(127)128)96(180)156-71(92(122)176)32-19-45-142-111(123)124)170-103(187)79(40-27-53-150-119(139)140)163-106(190)84(56-68-28-15-13-16-29-68)167-107(191)86(58-70-59-141-61-152-70)169-110(194)91(65(8)12-2)171-108(192)85(57-69-30-17-14-18-31-69)168-105(189)83(55-63(5)6)166-93(177)66(9)153-94(178)80(41-43-87(120)173)164-102(186)81(42-44-88(121)174)165-104(188)82(54-62(3)4)154-67(10)172/h13-18,28-31,59,61-66,71-86,90-91H,11-12,19-27,32-58,60H2,1-10H3,(H2,120,173)(H2,121,174)(H2,122,176)(H,141,152)(H,151,193)(H,153,178)(H,154,172)(H,155,175)(H,156,180)(H,157,179)(H,158,182)(H,159,181)(H,160,184)(H,161,183)(H,162,185)(H,163,190)(H,164,186)(H,165,188)(H,166,177)(H,167,191)(H,168,189)(H,169,194)(H,170,187)(H,171,192)(H4,123,124,142)(H4,125,126,143)(H4,127,128,144)(H4,129,130,145)(H4,131,132,146)(H4,133,134,147)(H4,135,136,148)(H4,137,138,149)(H4,139,140,150)/t64-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,90-,91-/m0/s1
    MOLECULAR FORMULA
    C119H206N52O23
    CROSS REFERENCES
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    canSAR820652
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2731.65
    AlogP-12.63
    HBond donors63
    HBond acceptors75
    Atoms400
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820652.