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canSAR1127898
FEATURES
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NAMES
    SMILES
    NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1C2CCCCC2CN1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C2CCCCC2CN1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1C2CCCCC2CN1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O
    InChI
    InChI=1S/C139H194N28O21S/c140-61-29-23-53-101(124(146)173)155-125(174)102(54-24-30-62-141)156-126(175)103(55-25-31-63-142)157-127(176)104(56-26-32-64-143)158-128(177)110-69-87-39-7-11-43-91(87)77-161(110)132(181)105(57-27-33-65-144)151-117(170)74-148-129(178)121-98-50-18-16-49-97(98)83-167(121)138(187)113-72-90-42-10-14-46-94(90)80-164(113)135(184)108(68-86-37-5-2-6-38-86)154-119(172)76-150-131(180)123-100-52-20-15-47-95(100)81-165(123)136(185)111-70-88-40-8-12-44-92(88)78-162(111)133(182)106(58-28-34-66-145)152-118(171)75-149-130(179)122-99-51-19-17-48-96(99)82-166(122)137(186)112-71-89-41-9-13-45-93(89)79-163(112)134(183)107(67-85-35-3-1-4-36-85)153-116(169)73-147-115(168)60-22-21-59-114-120-109(84-189-114)159-139(188)160-120/h1-14,35-46,95-114,120-123H,15-34,47-84,140-145H2,(H2,146,173)(H,147,168)(H,148,178)(H,149,179)(H,150,180)(H,151,170)(H,152,171)(H,153,169)(H,154,172)(H,155,174)(H,156,175)(H,157,176)(H,158,177)(H2,159,160,188)/t95?,96?,97?,98?,99?,100?,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,120-,121-,122-,123-/m0/s1
    MOLECULAR FORMULA
    C139H194N28O21S
    CROSS REFERENCES
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    canSAR1127898

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2623.47
    AlogP 2.67
    HBond donors 28
    HBond acceptors 49
    Atoms 383
    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 canSAR1127898.