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canSAR1129182
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)CCCCCNC(=O)C[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC1=O
    InChI
    InChI=1S/C67H97N17O13/c1-38(2)28-48-58(89)76-47(16-11-25-72-67(68)69)66(97)84-27-13-18-55(84)64(95)75-40(5)30-56(87)71-24-10-6-7-19-57(88)83-26-12-17-54(83)65(96)81-52(33-43-35-70-37-74-43)62(93)80-51(32-42-34-73-46-15-9-8-14-45(42)46)61(92)82-53(36-85)63(94)79-50(31-41-20-22-44(86)23-21-41)60(91)78-49(29-39(3)4)59(90)77-48/h8-9,14-15,20-23,34-35,37-40,47-55,73,85-86H,6-7,10-13,16-19,24-33,36H2,1-5H3,(H,70,74)(H,71,87)(H,75,95)(H,76,89)(H,77,90)(H,78,91)(H,79,94)(H,80,93)(H,81,96)(H,82,92)(H4,68,69,72)/t40-,47-,48-,49+,50-,51-,52-,53-,54-,55-/m0/s1
    MOLECULAR FORMULA
    C67H97N17O13
    CROSS REFERENCES
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    canSAR1129182

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1347.75
    AlogP -0.07
    HBond donors 17
    HBond acceptors 30
    Atoms 194
    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 canSAR1129182.