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canSAR1142224
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@H]1CC(=O)NC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)CC[C@H](NC1=O)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N2
    InChI
    InChI=1S/C74H92ClN17O15/c1-41(2)32-53-67(100)86-52-27-30-79-64(97)54(34-43-12-5-4-6-13-43)83-61(94)26-25-51(66(99)84-50(65(98)87-53)17-10-29-80-74(77)107)85-71(104)58(38-62(95)81-40-59(63(76)96)91-72(105)60-18-11-31-92(60)73(52)106)90-70(103)57(37-46-14-9-28-78-39-46)89-69(102)56(35-44-20-23-49(75)24-21-44)88-68(101)55(82-42(3)93)36-45-19-22-47-15-7-8-16-48(47)33-45/h4-9,12-16,19-24,28,33,39,41,50-60H,10-11,17-18,25-27,29-32,34-38,40H2,1-3H3,(H2,76,96)(H,79,97)(H,81,95)(H,82,93)(H,83,94)(H,84,99)(H,85,104)(H,86,100)(H,87,98)(H,88,101)(H,89,102)(H,90,103)(H,91,105)(H3,77,80,107)/t50-,51+,52+,53+,54+,55-,56-,57-,58+,59+,60+/m1/s1
    MOLECULAR FORMULA
    C74H92ClN17O15
    CROSS REFERENCES
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    canSAR1142224

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1493.66
    AlogP -1.18
    HBond donors 17
    HBond acceptors 32
    Atoms 199
    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 canSAR1142224.