canSAR293447
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCCC1C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@@H](CO)C(=O)N1CCCC1C(=O)N[C@@H](CSSC[C@H](NC(=O)C1CCCN1C(=O)[C@H](CO)NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)O)C(C)O)C(N)=O)C(N)=O)C(C)O)C(C)O
    InChI
    InChI=1S/C72H112N18O24S2/c1-35(93)53(75-39(5)97)69(111)89-29-13-21-51(89)67(109)85-25-9-19-49(85)63(105)81-55(37(3)95)71(113)87-27-11-17-47(87)59(101)77-41(31-91)65(107)83-23-7-15-45(83)61(103)79-43(57(73)99)33-115-116-34-44(58(74)100)80-62(104)46-16-8-24-84(46)66(108)42(32-92)78-60(102)48-18-12-28-88(48)72(114)56(38(4)96)82-64(106)50-20-10-26-86(50)68(110)52-22-14-30-90(52)70(112)54(36(2)94)76-40(6)98/h35-38,41-56,91-96H,7-34H2,1-6H3,(H2,73,99)(H2,74,100)(H,75,97)(H,76,98)(H,77,101)(H,78,102)(H,79,103)(H,80,104)(H,81,105)(H,82,106)/t35?,36?,37?,38?,41-,42-,43-,44-,45?,46?,47?,48?,49?,50?,51-,52-,53-,54-,55-,56-/m0/s1
    MOLECULAR FORMULA
    C72H112N18O24S2
    CROSS REFERENCES
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    canSAR293447
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1676.75
    AlogP-9.31
    HBond donors18
    HBond acceptors42
    Atoms228
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR293447.