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canSAR1142993
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]2CCCNC(=O)[C@H](Cc3ccccc3)NC(=O)C[C@H](NC1=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N2
    InChI
    InChI=1S/C74H93ClN18O14/c1-41(2)31-52-66(100)86-51-19-11-28-80-64(98)53(33-43-13-5-4-6-14-43)84-62(96)38-58(70(104)85-50(65(99)87-52)18-10-29-81-74(77)78)91-71(105)57(37-61(95)82-40-59(63(76)97)92-72(106)60-20-12-30-93(60)73(51)107)90-69(103)56(36-46-15-9-27-79-39-46)89-68(102)55(34-44-22-25-49(75)26-23-44)88-67(101)54(83-42(3)94)35-45-21-24-47-16-7-8-17-48(47)32-45/h4-9,13-17,21-27,32,39,41,50-60H,10-12,18-20,28-31,33-38,40H2,1-3H3,(H2,76,97)(H,80,98)(H,82,95)(H,83,94)(H,84,96)(H,85,104)(H,86,100)(H,87,99)(H,88,101)(H,89,102)(H,90,103)(H,91,105)(H,92,106)(H4,77,78,81)/t50-,51+,52+,53+,54-,55-,56-,57+,58+,59+,60+/m1/s1
    MOLECULAR FORMULA
    C74H93ClN18O14
    CROSS REFERENCES
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    canSAR1142993

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1492.68
    AlogP -1.58
    HBond donors 18
    HBond acceptors 32
    Atoms 200
    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 canSAR1142993.