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canSAR163633
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(N)=O
    InChI
    InChI=1S/C144H239N37O34/c1-19-82(12)115(141(212)176-113(75-185)139(210)173-110(72-182)119(152)190)178-121(192)84(14)156-122(193)96(49-29-36-56-146)161-129(200)102(62-77(2)3)165-131(202)105(65-80(8)9)171-142(213)117(86(16)187)181-136(207)109(69-92-71-153-76-155-92)169-132(203)104(64-79(6)7)170-140(211)114(81(10)11)177-144(215)118(87(17)188)180-127(198)100(53-33-40-60-150)160-124(195)97(50-30-37-57-147)159-120(191)83(13)157-137(208)111(73-183)174-125(196)98(51-31-38-58-148)162-133(204)107(67-90-44-24-21-25-45-90)172-143(214)116(85(15)186)179-128(199)101(54-34-41-61-151)164-130(201)103(63-78(4)5)166-134(205)106(66-89-42-22-20-23-43-89)167-138(209)112(74-184)175-126(197)99(52-32-39-59-149)163-135(206)108(68-91-70-154-94-47-27-26-46-93(91)94)168-123(194)95(158-88(18)189)48-28-35-55-145/h20-27,42-47,70-71,76-87,95-118,154,182-188H,19,28-41,48-69,72-75,145-151H2,1-18H3,(H2,152,190)(H,153,155)(H,156,193)(H,157,208)(H,158,189)(H,159,191)(H,160,195)(H,161,200)(H,162,204)(H,163,206)(H,164,201)(H,165,202)(H,166,205)(H,167,209)(H,168,194)(H,169,203)(H,170,211)(H,171,213)(H,172,214)(H,173,210)(H,174,196)(H,175,197)(H,176,212)(H,177,215)(H,178,192)(H,179,199)(H,180,198)(H,181,207)/t82-,83-,84-,85+,86+,87+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-/m0/s1
    MOLECULAR FORMULA
    C144H239N37O34
    CROSS REFERENCES
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    canSAR163633

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3030.81
    AlogP -8.79
    HBond donors 51
    HBond acceptors 71
    Atoms 454
    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 canSAR163633.