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canSAR343717
FEATURES
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NAMES
    SMILES
    CC/N=C(/NCC)NCCCC[C@@H](NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(N)=O
    InChI
    InChI=1S/C76H102ClN19O13/c1-6-81-76(82-7-2)84-33-13-12-20-56(65(100)89-58(36-44(3)4)66(101)88-57(21-14-34-83-74(78)79)73(108)96-35-15-22-64(96)72(107)94-95-75(80)109)87-68(103)60(39-47-26-31-53(99)32-27-47)91-71(106)63(43-97)93-70(105)62(41-51-42-85-55-19-11-10-18-54(51)55)92-69(104)61(38-46-24-29-52(77)30-25-46)90-67(102)59(86-45(5)98)40-48-23-28-49-16-8-9-17-50(49)37-48/h8-11,16-19,23-32,37,42,44,56-64,85,97,99H,6-7,12-15,20-22,33-36,38-41,43H2,1-5H3,(H,86,98)(H,87,103)(H,88,101)(H,89,100)(H,90,102)(H,91,106)(H,92,104)(H,93,105)(H,94,107)(H4,78,79,83)(H3,80,95,109)(H2,81,82,84)/t56-,57?,58?,59+,60?,61-,62+,63?,64?/m1/s1
    MOLECULAR FORMULA
    C76H102ClN19O13
    CROSS REFERENCES
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    canSAR343717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1523.76
    AlogP 1.38
    HBond donors 21
    HBond acceptors 32
    Atoms 211
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR343717.