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canSAR2002080
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC2CCCCC21
    InChI
    InChI=1S/C85H121N23O18S2/c1-47(97-71(114)56(86)37-49-26-28-53(110)29-27-49)70(113)103-61(38-48-15-4-3-5-16-48)74(117)100-58(30-36-127-2)73(116)99-57(21-10-31-93-83(87)88)72(115)101-59(22-11-32-94-84(89)90)78(121)105-34-13-25-65(105)80(123)107-45-54(111)41-66(107)76(119)96-43-69(112)98-62(42-55-20-14-35-128-55)75(118)104-63(46-109)79(122)106-44-52-19-7-6-17-50(52)39-68(106)81(124)108-64-24-9-8-18-51(64)40-67(108)77(120)102-60(82(125)126)23-12-33-95-85(91)92/h3-7,14-17,19-20,26-29,35,47,51,54,56-68,109-111H,8-13,18,21-25,30-34,36-46,86H2,1-2H3,(H,96,119)(H,97,114)(H,98,112)(H,99,116)(H,100,117)(H,101,115)(H,102,120)(H,103,113)(H,104,118)(H,125,126)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t47-,51?,54?,56-,57+,58-,59-,60-,61-,62?,63-,64?,65-,66?,67?,68+/m0/s1
    MOLECULAR FORMULA
    C85H121N23O18S2
    CROSS REFERENCES
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    canSAR2002080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1815.87
    AlogP -3.49
    HBond donors 27
    HBond acceptors 41
    Atoms 249
    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 canSAR2002080.