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canSAR353447
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O
    InChI
    InChI=1S/C58H114N32O13S/c59-21-3-1-11-32(82-43(93)31(81-42(92)29-61)13-5-23-75-53(63)64)44(94)83-33(12-2-4-22-60)45(95)84-34(14-6-24-76-54(65)66)46(96)86-37(17-9-27-79-57(71)72)49(99)89-39(19-20-41(62)91)51(101)88-36(16-8-26-78-56(69)70)48(98)85-35(15-7-25-77-55(67)68)47(97)87-38(18-10-28-80-58(73)74)50(100)90-40(30-104)52(102)103/h31-40,104H,1-30,59-61H2,(H2,62,91)(H,81,92)(H,82,93)(H,83,94)(H,84,95)(H,85,98)(H,86,96)(H,87,97)(H,88,101)(H,89,99)(H,90,100)(H,102,103)(H4,63,64,75)(H4,65,66,76)(H4,67,68,77)(H4,69,70,78)(H4,71,72,79)(H4,73,74,80)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C58H114N32O13S
    CROSS REFERENCES
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    canSAR353447

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1498.90
    AlogP -11.09
    HBond donors 43
    HBond acceptors 45
    Atoms 218
    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 canSAR353447.