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canSAR783202
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
    InChI
    InChI=1S/C74H101N21O10/c1-3-42(2)63(95-64(96)51(77)22-12-14-30-75)71(103)94-62(37-46-41-87-55-26-11-7-21-50(46)55)70(102)93-61(36-45-40-86-54-25-10-6-20-49(45)54)69(101)92-60(35-44-39-85-53-24-9-5-19-48(44)53)68(100)91-59(34-43-38-84-52-23-8-4-18-47(43)52)67(99)89-57(28-16-32-82-73(78)79)65(97)88-56(27-13-15-31-76)66(98)90-58(72(104)105)29-17-33-83-74(80)81/h4-11,18-21,23-26,38-42,51,56-63,84-87H,3,12-17,22,27-37,75-77H2,1-2H3,(H,88,97)(H,89,99)(H,90,98)(H,91,100)(H,92,101)(H,93,102)(H,94,103)(H,95,96)(H,104,105)(H4,78,79,82)(H4,80,81,83)/t42-,51-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
    MOLECULAR FORMULA
    C74H101N21O10
    CROSS REFERENCES
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    canSAR783202

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1443.80
    AlogP 2.00
    HBond donors 27
    HBond acceptors 31
    Atoms 206
    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 canSAR783202.