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canSAR502183
FEATURES
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NAMES
    SMILES
    CSCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)O
    InChI
    InChI=1S/C78H114N18O18S/c1-45(2)38-57(69(105)86-46(3)66(102)90-56(77(113)114)23-15-34-84-78(81)82)93-74(110)63-25-17-36-96(63)76(112)55(31-37-115-4)89-73(109)62-24-16-35-95(62)75(111)54(22-12-13-32-79)88-71(107)59(39-47-18-7-5-8-19-47)92-72(108)61(44-97)94-70(106)58(40-48-27-29-50(98)30-28-48)87-64(99)26-9-6-14-33-83-68(104)60(91-67(103)52(80)42-65(100)101)41-49-43-85-53-21-11-10-20-51(49)53/h5,7-8,10-11,18-21,27-30,43,45-46,52,54-63,85,97-98H,6,9,12-17,22-26,31-42,44,79-80H2,1-4H3,(H,83,104)(H,86,105)(H,87,99)(H,88,107)(H,89,109)(H,90,102)(H,91,103)(H,92,108)(H,93,110)(H,94,106)(H,100,101)(H,113,114)(H4,81,82,84)/t46-,52-,54-,55+,56+,57+,58-,59-,60-,61-,62+,63-/m0/s1
    MOLECULAR FORMULA
    C78H114N18O18S
    CROSS REFERENCES
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    canSAR502183

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1622.83
    AlogP -1.20
    HBond donors 23
    HBond acceptors 36
    Atoms 229
    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 canSAR502183.