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canSAR1127599
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
    InChI
    InChI=1S/C63H92N16O24/c1-31(59(98)76-21-6-11-43(76)56(95)69-32(2)63(102)103)68-52(91)38(27-49(86)87)72-51(90)36(18-19-48(84)85)70-47(83)29-67-55(94)42-10-5-23-78(42)62(101)40(26-46(66)82)74-53(92)39(28-50(88)89)73-57(96)45-13-8-24-79(45)61(100)37(9-3-4-20-64)71-54(93)41(30-80)75-58(97)44-12-7-22-77(44)60(99)35(65)25-33-14-16-34(81)17-15-33/h14-17,31-32,35-45,80-81H,3-13,18-30,64-65H2,1-2H3,(H2,66,82)(H,67,94)(H,68,91)(H,69,95)(H,70,83)(H,71,93)(H,72,90)(H,73,96)(H,74,92)(H,75,97)(H,84,85)(H,86,87)(H,88,89)(H,102,103)/t31-,32-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
    MOLECULAR FORMULA
    C63H92N16O24
    CROSS REFERENCES
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    canSAR1127599

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1456.65
    AlogP -7.84
    HBond donors 21
    HBond acceptors 40
    Atoms 195
    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 canSAR1127599.