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canSAR835626
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O
    InChI
    InChI=1S/C62H82N14O16/c1-62-23-22-39-38-19-17-37(28-36(38)16-18-40(39)41(62)20-21-48(62)77)92-33-51(80)71-42(14-8-24-67-60(63)64)54(85)69-31-49(78)72-45(29-52(81)82)57(88)75-44(26-34-10-4-2-5-11-34)56(87)74-43(15-9-25-68-61(65)66)55(86)70-32-50(79)73-46(30-53(83)84)58(89)76-47(59(90)91)27-35-12-6-3-7-13-35/h2-7,10-13,17,19,28,39-47H,8-9,14-16,18,20-27,29-33H2,1H3,(H,69,85)(H,70,86)(H,71,80)(H,72,78)(H,73,79)(H,74,87)(H,75,88)(H,76,89)(H,81,82)(H,83,84)(H,90,91)(H4,63,64,67)(H4,65,66,68)/t39-,40-,41+,42+,43+,44+,45+,46+,47+,62+/m1/s1
    MOLECULAR FORMULA
    C62H82N14O16
    CROSS REFERENCES
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    canSAR835626

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1278.60
    AlogP -1.32
    HBond donors 19
    HBond acceptors 30
    Atoms 174
    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 canSAR835626.