canSAR108763
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](C)O)C(=O)N1CCCCC1C(=O)N1CC[C@H](O/N=C\CCc2ccccc2)[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O
    InChI
    InChI=1S/C78H95N13O23S/c1-42(73(108)90-35-9-7-16-57(90)75(110)91-38-32-58(114-81-34-10-15-44-13-4-3-5-14-44)66(91)72(107)85-53(27-30-63(98)99)68(103)84-52(67(79)102)26-29-62(96)97)82-71(106)65(43(2)92)87-70(105)56-18-12-37-89(56)74(109)54(28-31-64(100)101)86-69(104)55-17-11-36-88(55)61(95)19-6-8-33-80-77(115)83-45-20-23-48-51(39-45)78(113-76(48)111)49-24-21-46(93)40-59(49)112-60-41-47(94)22-25-50(60)78/h3-5,13-14,20-25,34,39-43,52-58,65-66,92-94H,6-12,15-19,26-33,35-38H2,1-2H3,(H2,79,102)(H,82,106)(H,84,103)(H,85,107)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,115)/b81-34-/t42-,43+,52-,53-,54-,55-,56-,57?,58-,65-,66-/m0/s1
    MOLECULAR FORMULA
    C78H95N13O23S
    CROSS REFERENCES
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    canSAR108763
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1613.64
    AlogP1.99
    HBond donors15
    HBond acceptors36
    Atoms210
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR108763.