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canSAR656074
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
    InChI
    InChI=1S/C67H96N24O11/c1-3-35(2)55(91-61(99)49(23-25-54(70)93)84-57(95)42(68)16-10-26-78-65(72)73)64(102)87-47(21-12-28-80-67(76)77)58(96)85-46(20-11-27-79-66(74)75)59(97)89-52(31-38-34-83-45-19-9-6-15-41(38)45)63(101)90-51(30-37-33-82-44-18-8-5-14-40(37)44)62(100)86-48(22-24-53(69)92)60(98)88-50(56(71)94)29-36-32-81-43-17-7-4-13-39(36)43/h4-9,13-15,17-19,32-35,42,46-52,55,81-83H,3,10-12,16,20-31,68H2,1-2H3,(H2,69,92)(H2,70,93)(H2,71,94)(H,84,95)(H,85,96)(H,86,100)(H,87,102)(H,88,98)(H,89,97)(H,90,101)(H,91,99)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t35-,42-,46-,47-,48-,49-,50-,51-,52-,55-/m0/s1
    MOLECULAR FORMULA
    C67H96N24O11
    CROSS REFERENCES
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    canSAR656074

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1412.77
    AlogP -2.78
    HBond donors 31
    HBond acceptors 35
    Atoms 198
    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 canSAR656074.