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canSAR1145675
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](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O
    InChI
    InChI=1S/C72H101ClN20O16/c1-38(2)31-52(63(101)88-51(17-11-29-81-72(77)78)69(107)93-30-12-18-57(93)68(106)83-39(3)59(74)97)89-62(100)50(25-26-58(96)82-40(4)60(98)84-41(5)70(108)109)87-61(99)49(16-10-28-80-71(75)76)86-67(105)56(37-94)92-66(104)55(35-45-13-9-27-79-36-45)91-65(103)54(33-43-20-23-48(73)24-21-43)90-64(102)53(85-42(6)95)34-44-19-22-46-14-7-8-15-47(46)32-44/h7-9,13-15,19-24,27,32,36,38-41,49-57,94H,10-12,16-18,25-26,28-31,33-35,37H2,1-6H3,(H2,74,97)(H,82,96)(H,83,106)(H,84,98)(H,85,95)(H,86,105)(H,87,99)(H,88,101)(H,89,100)(H,90,102)(H,91,103)(H,92,104)(H,108,109)(H4,75,76,80)(H4,77,78,81)/t39-,40-,41-,49-,50-,51-,52-,53+,54-,55+,56-,57+/m0/s1
    MOLECULAR FORMULA
    C72H101ClN20O16
    CROSS REFERENCES
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    canSAR1145675

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1536.74
    AlogP -3.18
    HBond donors 23
    HBond acceptors 36
    Atoms 210
    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 canSAR1145675.