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canSAR114128
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C61H101N23O15/c1-33(76-47(88)31-75-59(99)49(35(3)86)84-57(97)44(28-37-19-21-38(64)22-20-37)78-48(89)30-73-46(87)29-74-53(93)39(65)27-36-13-5-4-6-14-36)51(91)80-43(18-12-26-72-61(69)70)55(95)82-41(16-8-10-24-63)56(96)83-45(32-85)58(98)77-34(2)52(92)81-42(17-11-25-71-60(67)68)54(94)79-40(50(66)90)15-7-9-23-62/h4-6,13-14,19-22,33-35,39-45,49,85-86H,7-12,15-18,23-32,62-65H2,1-3H3,(H2,66,90)(H,73,87)(H,74,93)(H,75,99)(H,76,88)(H,77,98)(H,78,89)(H,79,94)(H,80,91)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H4,67,68,71)(H4,69,70,72)/t33-,34-,35+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
    MOLECULAR FORMULA
    C61H101N23O15
    CROSS REFERENCES
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    canSAR114128

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1395.78
    AlogP -9.64
    HBond donors 32
    HBond acceptors 38
    Atoms 200
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR114128.