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canSAR1131175
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c(C)cc(C)cc1C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
    InChI
    InChI=1S/C68H93N17O15/c1-36(2)24-56(65(98)78-49(14-10-22-73-68(70)71)67(100)85-23-11-15-55(85)64(97)75-33-57(69)89)84(7)66(99)53(30-46-38(4)25-37(3)26-39(46)5)82-60(93)50(27-41-16-18-44(88)19-17-41)79-63(96)54(34-86)83-61(94)51(28-42-31-74-47-13-9-8-12-45(42)47)80-62(95)52(29-43-32-72-35-76-43)81-59(92)48(77-40(6)87)20-21-58(90)91/h8-9,12-13,16-19,25-26,31-32,35-36,48-56,74,86,88H,10-11,14-15,20-24,27-30,33-34H2,1-7H3,(H2,69,89)(H,72,76)(H,75,97)(H,77,87)(H,78,98)(H,79,96)(H,80,95)(H,81,92)(H,82,93)(H,83,94)(H,90,91)(H4,70,71,73)/t48-,49-,50-,51-,52-,53+,54-,55-,56-/m0/s1
    MOLECULAR FORMULA
    C68H93N17O15
    CROSS REFERENCES
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    canSAR1131175

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1387.70
    AlogP -1.42
    HBond donors 19
    HBond acceptors 32
    Atoms 193
    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 canSAR1131175.