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canSAR1126535
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
    InChI
    InChI=1S/C59H84N16O15/c1-6-32(4)48(73-49(80)38(20-21-64-59(61)62)68-50(81)40(27-46(78)79)67-45(77)29-65-52(83)43-14-10-22-74(43)56(87)33(5)60)55(86)69-39(24-35-16-18-37(76)19-17-35)51(82)72-47(31(2)3)54(85)70-41(26-36-28-63-30-66-36)57(88)75-23-11-15-44(75)53(84)71-42(58(89)90)25-34-12-8-7-9-13-34/h7-9,12-13,16-19,28,30-33,38-44,47-48,76H,6,10-11,14-15,20-27,29,60H2,1-5H3,(H,63,66)(H,65,83)(H,67,77)(H,68,81)(H,69,86)(H,70,85)(H,71,84)(H,72,82)(H,73,80)(H,78,79)(H,89,90)(H4,61,62,64)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,47-,48-/m0/s1
    MOLECULAR FORMULA
    C59H84N16O15
    CROSS REFERENCES
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    canSAR1126535

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1256.63
    AlogP -3.09
    HBond donors 18
    HBond acceptors 31
    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 canSAR1126535.