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canSAR465523
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C)C(C)c1ccccc1
    InChI
    InChI=1S/C78H111N21O19S/c1-42(2)64(66(80)107)97-75(116)61-21-14-31-99(61)77(118)55(19-11-12-29-79)89-62(104)38-86-67(108)57(34-47-36-85-51-18-10-9-17-50(47)51)94-68(109)52(20-13-30-84-78(81)82)92-76(117)65(43(3)46-15-7-6-8-16-46)98-72(113)58(35-48-37-83-41-87-48)95-69(110)53(26-27-63(105)106)90-70(111)54(28-32-119-5)91-74(115)60(40-101)96-71(112)56(33-45-22-24-49(103)25-23-45)93-73(114)59(39-100)88-44(4)102/h6-10,15-18,22-25,36-37,41-43,52-61,64-65,85,100-101,103H,11-14,19-21,26-35,38-40,79H2,1-5H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,111)(H,91,115)(H,92,117)(H,93,114)(H,94,109)(H,95,110)(H,96,112)(H,97,116)(H,98,113)(H,105,106)(H4,81,82,84)/t43?,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
    MOLECULAR FORMULA
    C78H111N21O19S
    CROSS REFERENCES
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    canSAR465523

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1677.81
    AlogP -4.19
    HBond donors 26
    HBond acceptors 40
    Atoms 230
    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 canSAR465523.