canSAR822876
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)N)[C@@H](C)O)CCNC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O
    InChI
    InChI=1S/C61H104N20O17/c1-28(2)26-43-58(95)75-38(16-21-62)53(90)74-41(19-24-65)57(94)81-45(35(9)82)60(97)67-25-20-42(56(93)73-39(17-22-63)55(92)79-44(59(96)78-43)27-37-14-12-11-13-15-37)76-54(91)40(18-23-64)77-61(98)46(36(10)83)80-52(89)34(8)72-51(88)33(7)71-50(87)32(6)70-49(86)31(5)69-48(85)30(4)68-47(84)29(3)66/h11-15,28-36,38-46,82-83H,16-27,62-66H2,1-10H3,(H,67,97)(H,68,84)(H,69,85)(H,70,86)(H,71,87)(H,72,88)(H,73,93)(H,74,90)(H,75,95)(H,76,91)(H,77,98)(H,78,96)(H,79,92)(H,80,89)(H,81,94)/t29-,30+,31-,32-,33+,34-,35+,36+,38-,39-,40-,41-,42-,43-,44+,45+,46+/m0/s1
    MOLECULAR FORMULA
    C61H104N20O17
    CROSS REFERENCES
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    canSAR822876
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1388.79
    AlogP-9.81
    HBond donors27
    HBond acceptors37
    Atoms202
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR822876.