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canSAR1636336
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)NCC(=O)N[C@@H](CO)C(=O)NC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2
    InChI
    InChI=1S/C132H211N47O43S6/c1-10-62(7)100-124(218)166-73(40-60(3)4)112(206)159-68(31-32-89(134)184)102(196)67(20-14-34-144-128(136)137)104(198)169-82-55-224-225-56-83-119(213)160-69(22-15-35-145-129(138)139)105(199)148-46-93(188)156-75(42-90(135)185)106(200)149-47-92(187)155-74(41-65-27-29-66(183)30-28-65)113(207)170-81-54-223-227-58-85(172-115(209)77(44-98(194)195)165-116(210)80(53-182)167-114(208)76(43-97(192)193)164-110(204)72(24-17-37-147-131(142)143)161-109(203)71(162-118(82)212)23-16-36-146-130(140)141)126(220)178-38-18-25-87(178)121(215)152-45-91(186)154-64(9)103(197)168-84(120(214)176-101(63(8)11-2)125(219)171-83)57-226-228-59-86(127(221)179-39-19-26-88(179)122(216)163-70(111(205)175-100)21-12-13-33-133)173-123(217)99(61(5)6)174-96(191)50-153-132(222)177-117(211)79(52-181)158-95(190)48-150-107(201)78(51-180)157-94(189)49-151-108(81)202/h27-30,60-64,67-88,99-101,180-183H,10-26,31-59,133H2,1-9H3,(H2,134,184)(H2,135,185)(H,148,199)(H,149,200)(H,150,201)(H,151,202)(H,152,215)(H,154,186)(H,155,187)(H,156,188)(H,157,189)(H,158,190)(H,159,206)(H,160,213)(H,161,203)(H,162,212)(H,163,216)(H,164,204)(H,165,210)(H,166,218)(H,167,208)(H,168,197)(H,169,198)(H,170,207)(H,171,219)(H,172,209)(H,173,217)(H,174,191)(H,175,205)(H,176,214)(H,192,193)(H,194,195)(H4,136,137,144)(H4,138,139,145)(H4,140,141,146)(H4,142,143,147)(H2,153,177,211,222)/t62-,63-,64-,67?,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83?,84-,85-,86-,87-,88-,99-,100-,101-/m0/s1
    MOLECULAR FORMULA
    C132H211N47O43S6
    CROSS REFERENCES
    1636336 logo

    canSAR1636336

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3334.41
    AlogP -20.08
    HBond donors 58
    HBond acceptors 90
    Atoms 439
    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 canSAR1636336.