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canSAR669833
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N2
    InChI
    InChI=1S/C54H82N16O18S4/c1-25(2)15-31-48(81)66-34-21-90-89-20-33(45(78)58-18-39(73)61-30(9-11-41(75)76)47(80)62-28(46(79)63-31)7-5-6-13-55)65-50(83)35(67-51(84)42(26(3)4)69-40(74)19-57-44(77)29-8-10-38(72)60-29)22-91-92-23-36(54(87)88)68-52(85)43-37(71)12-14-70(43)53(86)32(64-49(34)82)16-27-17-56-24-59-27/h17,24-26,28-37,42-43,71H,5-16,18-23,55H2,1-4H3,(H,56,59)(H,57,77)(H,58,78)(H,60,72)(H,61,73)(H,62,80)(H,63,79)(H,64,82)(H,65,83)(H,66,81)(H,67,84)(H,68,85)(H,69,74)(H,75,76)(H,87,88)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C54H82N16O18S4
    CROSS REFERENCES
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    canSAR669833

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1370.49
    AlogP -5.64
    HBond donors 18
    HBond acceptors 34
    Atoms 174
    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 canSAR669833.