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canSAR127136
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O
    InChI
    InChI=1S/C58H112N30O13/c1-31(89)43(63)53(101)88-29-11-19-40(88)52(100)87-38(18-10-28-78-58(72)73)50(98)86-39(20-21-41(61)90)51(99)85-37(17-9-27-77-57(70)71)49(97)84-36(16-8-26-76-56(68)69)48(96)83-35(15-7-25-75-55(66)67)47(95)82-34(13-3-5-23-60)46(94)81-33(12-2-4-22-59)45(93)80-32(14-6-24-74-54(64)65)44(92)79-30-42(62)91/h31-40,43,89H,2-30,59-60,63H2,1H3,(H2,61,90)(H2,62,91)(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)(H,85,99)(H,86,98)(H,87,100)(H4,64,65,74)(H4,66,67,75)(H4,68,69,76)(H4,70,71,77)(H4,72,73,78)/t31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,43+/m1/s1
    MOLECULAR FORMULA
    C58H112N30O13
    CROSS REFERENCES
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    canSAR127136

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1436.90
    AlogP -10.99
    HBond donors 40
    HBond acceptors 43
    Atoms 213
    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 canSAR127136.