canSAR2094233
FEATURES
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NAMES
    SMILES
    CCCCCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
    InChI
    InChI=1S/C61H100N16O13/c1-6-7-8-9-13-16-49(80)68-41(21-27-62)56(85)77-51(37(5)79)61(90)73-44(24-30-65)53(82)72-46-26-32-67-60(89)50(36(4)78)76-57(86)45(25-31-66)70-52(81)42(22-28-63)71-58(87)47(33-35(2)3)74-59(88)48(75-54(83)43(23-29-64)69-55(46)84)34-38-17-19-40(20-18-38)39-14-11-10-12-15-39/h10-12,14-15,17-20,35-37,41-48,50-51,78-79H,6-9,13,16,21-34,62-66H2,1-5H3,(H,67,89)(H,68,80)(H,69,84)(H,70,81)(H,71,87)(H,72,82)(H,73,90)(H,74,88)(H,75,83)(H,76,86)(H,77,85)/t36-,37-,41+,42+,43+,44+,45+,46+,47+,48-,50+,51+/m1/s1
    MOLECULAR FORMULA
    C61H100N16O13
    CROSS REFERENCES
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    canSAR2094233
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1264.77
    AlogP-3.82
    HBond donors23
    HBond acceptors29
    Atoms190
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094233.