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canSAR831794
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)C(C)(C)SSC[C@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC1=O
    InChI
    InChI=1S/C77H115N17O25S2/c1-9-38(5)60-73(115)84-45(19-13-15-27-78)63(105)85-49(30-41-34-81-44-18-12-11-17-43(41)44)67(109)83-47(25-26-55(97)98)64(106)82-46(20-14-16-28-79)65(107)92-59(37(3)4)72(114)90-53(35-95)71(113)94-61(39(6)10-2)74(116)88-48(29-40-21-23-42(96)24-22-40)66(108)86-50(31-56(99)100)69(111)91-54(76(118)119)36-120-121-77(7,8)62(80)75(117)89-51(32-57(101)102)68(110)87-52(33-58(103)104)70(112)93-60/h11-12,17-18,21-24,34,37-39,45-54,59-62,81,95-96H,9-10,13-16,19-20,25-33,35-36,78-80H2,1-8H3,(H,82,106)(H,83,109)(H,84,115)(H,85,105)(H,86,108)(H,87,110)(H,88,116)(H,89,117)(H,90,114)(H,91,111)(H,92,107)(H,93,112)(H,94,113)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,118,119)/t38-,39-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54+,59-,60-,61-,62-/m0/s1
    MOLECULAR FORMULA
    C77H115N17O25S2
    CROSS REFERENCES
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    canSAR831794

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1741.77
    AlogP -3.17
    HBond donors 27
    HBond acceptors 42
    Atoms 236
    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 canSAR831794.