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canSAR783712
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
    InChI
    InChI=1S/C67H100N18O10/c1-7-40(6)56(85-63(92)53(33-41-19-9-8-10-20-41)81-59(88)50(26-17-29-74-66(70)71)78-57(86)46(69)31-38(2)3)64(93)84-52(32-39(4)5)60(89)82-55(35-43-37-77-48-24-14-12-22-45(43)48)62(91)83-54(34-42-36-76-47-23-13-11-21-44(42)47)61(90)79-49(25-15-16-28-68)58(87)80-51(65(94)95)27-18-30-75-67(72)73/h8-14,19-24,36-40,46,49-56,76-77H,7,15-18,25-35,68-69H2,1-6H3,(H,78,86)(H,79,90)(H,80,87)(H,81,88)(H,82,89)(H,83,91)(H,84,93)(H,85,92)(H,94,95)(H4,70,71,74)(H4,72,73,75)/t40-,46-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
    MOLECULAR FORMULA
    C67H100N18O10
    CROSS REFERENCES
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    canSAR783712

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1316.79
    AlogP 1.76
    HBond donors 23
    HBond acceptors 28
    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 canSAR783712.