canSAR823943
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)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](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O
    InChI
    InChI=1S/C137H231N39O44S2/c1-17-67(8)103(171-124(207)89(52-76-32-21-20-22-33-76)162-128(211)95(62-181)167-120(203)87(51-66(6)7)165-134(217)106(73(14)182)174-111(194)72(13)151-126(209)93(60-179)168-129(212)97(64-222)170-131(214)104(68(9)18-2)172-132(215)105(69(10)19-3)173-135(218)108(75(16)184)175-112(195)79(142)58-177)130(213)152-71(12)110(193)166-94(61-180)127(210)161-88(53-77-39-41-78(185)42-40-77)121(204)160-86(50-65(4)5)113(196)148-57-101(189)154-92(59-178)125(208)150-70(11)109(192)155-84(43-44-98(143)186)119(202)176-107(74(15)183)133(216)158-83(38-31-49-147-137(145)146)118(201)169-96(63-221)114(197)149-56-100(188)153-80(34-23-27-45-138)115(198)164-91(55-102(190)191)123(206)163-90(54-99(144)187)122(205)157-81(35-24-28-46-139)116(199)156-82(36-25-29-47-140)117(200)159-85(136(219)220)37-26-30-48-141/h20-22,32-33,39-42,65-75,79-97,103-108,177-185,221-222H,17-19,23-31,34-38,43-64,138-142H2,1-16H3,(H2,143,186)(H2,144,187)(H,148,196)(H,149,197)(H,150,208)(H,151,209)(H,152,213)(H,153,188)(H,154,189)(H,155,192)(H,156,199)(H,157,205)(H,158,216)(H,159,200)(H,160,204)(H,161,210)(H,162,211)(H,163,206)(H,164,198)(H,165,217)(H,166,193)(H,167,203)(H,168,212)(H,169,201)(H,170,214)(H,171,207)(H,172,215)(H,173,218)(H,174,194)(H,175,195)(H,176,202)(H,190,191)(H,219,220)(H4,145,146,147)/t67-,68-,69-,70-,71-,72-,73+,74+,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,103-,104-,105-,106-,107-,108-/m0/s1
    MOLECULAR FORMULA
    C137H231N39O44S2
    CROSS REFERENCES
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    canSAR823943
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3190.65
    AlogP-18.44
    HBond donors58
    HBond acceptors83
    Atoms453
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823943.