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canSAR1145014
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)CC
    InChI
    InChI=1S/C68H108N18O24/c1-8-34(5)54(85-68(110)55(35(6)9-2)84-63(105)44(27-50(71)92)81-64(106)46(31-88)74-51(93)29-73-57(99)45(30-87)82-66(108)48-19-15-23-86(48)36(7)90)67(109)83-47(32-89)65(107)80-43(26-49(70)91)62(104)78-41(24-33(3)4)60(102)79-42(25-37-16-11-10-12-17-37)61(103)75-38(18-13-14-22-69)58(100)76-39(20-21-52(94)95)59(101)77-40(56(72)98)28-53(96)97/h10-12,16-17,33-35,38-48,54-55,87-89H,8-9,13-15,18-32,69H2,1-7H3,(H2,70,91)(H2,71,92)(H2,72,98)(H,73,99)(H,74,93)(H,75,103)(H,76,100)(H,77,101)(H,78,104)(H,79,102)(H,80,107)(H,81,106)(H,82,108)(H,83,109)(H,84,105)(H,85,110)(H,94,95)(H,96,97)/t34-,35-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-,55-/m0/s1
    MOLECULAR FORMULA
    C68H108N18O24
    CROSS REFERENCES
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    canSAR1145014

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1560.78
    AlogP -9.01
    HBond donors 26
    HBond acceptors 42
    Atoms 218
    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 canSAR1145014.