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canSAR1126569
FEATURES
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NAMES
    SMILES
    NCCCC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)Cc1ccccc1
    InChI
    InChI=1S/C66H101N19O12/c67-30-12-10-24-46(69)56(88)80-47(25-11-13-31-68)57(89)81-48(26-14-32-74-65(70)71)62(94)85-35-17-29-54(85)63(95)84-34-16-28-53(84)61(93)77-40-55(87)79-51(38-44-22-8-3-9-23-44)59(91)83-52(41-86)60(92)78-45(36-42-18-4-1-5-19-42)39-76-50(37-43-20-6-2-7-21-43)58(90)82-49(64(96)97)27-15-33-75-66(72)73/h1-9,18-23,45-54,76,86H,10-17,24-41,67-69H2,(H,77,93)(H,78,92)(H,79,87)(H,80,88)(H,81,89)(H,82,90)(H,83,91)(H,96,97)(H4,70,71,74)(H4,72,73,75)/t45-,46-,47-,48+,49+,50+,51+,52+,53+,54+/m1/s1
    MOLECULAR FORMULA
    C66H101N19O12
    CROSS REFERENCES
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    canSAR1126569

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1351.79
    AlogP -3.55
    HBond donors 24
    HBond acceptors 31
    Atoms 198
    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 canSAR1126569.