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canSAR833754
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)[C@@H](C)O)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](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C71H94N20O11/c1-38(2)60(91-63(95)52(24-12-13-27-72)84-61(93)54(26-15-29-79-71(76)77)86-67(99)59(73)39(3)92)68(100)89-57(32-42-36-82-50-22-10-6-18-46(42)50)66(98)88-56(31-41-35-81-49-21-9-5-17-45(41)49)65(97)87-55(30-40-34-80-48-20-8-4-16-44(40)48)64(96)85-53(25-14-28-78-70(74)75)62(94)90-58(69(101)102)33-43-37-83-51-23-11-7-19-47(43)51/h4-11,16-23,34-39,52-60,80-83,92H,12-15,24-33,72-73H2,1-3H3,(H,84,93)(H,85,96)(H,86,99)(H,87,97)(H,88,98)(H,89,100)(H,90,94)(H,91,95)(H,101,102)(H4,74,75,78)(H4,76,77,79)/t39-,52+,53+,54+,55+,56+,57+,58+,59+,60+/m1/s1
    MOLECULAR FORMULA
    C71H94N20O11
    CROSS REFERENCES
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    canSAR833754

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1402.74
    AlogP 0.87
    HBond donors 26
    HBond acceptors 31
    Atoms 196
    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 canSAR833754.