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canSAR780092
FEATURES
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NAMES
    SMILES
    C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O
    InChI
    InChI=1S/C76H126N14O16/c1-20-45(16)60(72(101)89-63-48(19)106-76(105)59(44(14)15)85-64(93)50(22-3)78-66(95)52(38-49-31-24-23-25-32-49)80-68(97)56(41(8)9)82-71(100)61(46(17)21-2)87-74(63)103)86-65(94)51(33-26-27-36-77)79-67(96)53-34-29-37-90(53)75(104)58(43(12)13)84-70(99)57(42(10)11)83-73(102)62(47(18)91)88-69(98)55(40(6)7)81-54(92)35-28-30-39(4)5/h22-25,31-32,39-48,51-53,55-63,91H,20-21,26-30,33-38,77H2,1-19H3,(H,78,95)(H,79,96)(H,80,97)(H,81,92)(H,82,100)(H,83,102)(H,84,99)(H,85,93)(H,86,94)(H,87,103)(H,88,98)(H,89,101)/b50-22-/t45-,46-,47-,48+,51+,52+,53-,55-,56-,57+,58-,59+,60-,61-,62+,63-/m1/s1
    MOLECULAR FORMULA
    C76H126N14O16
    CROSS REFERENCES
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    canSAR780092

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1490.95
    AlogP 2.23
    HBond donors 15
    HBond acceptors 30
    Atoms 232
    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 canSAR780092.