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canSAR653262
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
    InChI
    InChI=1S/C57H64F6N10O9S2/c1-31(2)19-42(52(79)69-44(24-35-27-65-41-12-7-6-11-39(35)41)50(77)66-26-34-20-36(56(58,59)60)25-37(21-34)57(61,62)63)70-54(81)47-13-8-18-73(47)55(82)46-30-84-83-29-45(71-49(76)40(64)22-33-14-16-38(74)17-15-33)51(78)67-28-48(75)68-43(53(80)72-46)23-32-9-4-3-5-10-32/h3-7,9-12,14-17,20-21,25,27,31,40,42-47,65,74H,8,13,18-19,22-24,26,28-30,64H2,1-2H3,(H,66,77)(H,67,78)(H,68,75)(H,69,79)(H,70,81)(H,71,76)(H,72,80)/t40-,42-,43-,44-,45+,46-,47-/m0/s1
    MOLECULAR FORMULA
    C57H64F6N10O9S2
    CROSS REFERENCES
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    canSAR653262

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1210.42
    AlogP 4.55
    HBond donors 11
    HBond acceptors 19
    Atoms 148
    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 canSAR653262.