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canSAR1146918
FEATURES
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NAMES
    SMILES
    CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCN
    InChI
    InChI=1S/C133H187N27O20/c1-83(161)142-72-112(162)148-106(66-84-34-4-2-5-35-84)129(176)156-78-92-44-14-10-40-88(92)70-110(156)132(179)159-81-95-47-18-20-50-98(95)117(159)125(172)144-74-114(164)147-105(57-27-33-63-139)128(175)155-77-91-43-13-9-39-87(91)69-109(155)131(178)158-80-94-46-16-21-51-99(94)118(158)126(173)145-75-115(165)149-107(67-85-36-6-3-7-37-85)130(177)157-79-93-45-15-11-41-89(93)71-111(157)133(180)160-82-96-48-17-19-49-97(96)116(160)124(171)143-73-113(163)146-104(56-26-32-62-138)127(174)154-76-90-42-12-8-38-86(90)68-108(154)123(170)153-103(55-25-31-61-137)122(169)152-102(54-24-30-60-136)121(168)151-101(53-23-29-59-135)120(167)150-100(52-22-28-58-134)119(166)141-65-64-140/h2-15,34-45,94-111,116-118H,16-33,46-82,134-140H2,1H3,(H,141,166)(H,142,161)(H,143,171)(H,144,172)(H,145,173)(H,146,163)(H,147,164)(H,148,162)(H,149,165)(H,150,167)(H,151,168)(H,152,169)(H,153,170)/t94?,95?,96?,97?,98?,99?,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,116-,117-,118-/m0/s1
    MOLECULAR FORMULA
    C133H187N27O20
    CROSS REFERENCES
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    canSAR1146918

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2482.44
    AlogP 1.55
    HBond donors 27
    HBond acceptors 47
    Atoms 367
    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 canSAR1146918.