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canSAR1271356
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
    InChI
    InChI=1S/C51H86N14O12/c1-29(2)22-37(45(71)58-30(3)43(69)61-36(50(76)77)19-13-21-56-51(53)54)62-46(72)38(23-32-14-7-5-8-15-32)63-47(73)39(24-33-16-9-6-10-17-33)64-49(75)41(26-42(67)68)65-44(70)35(18-11-12-20-52)60-48(74)40(59-31(4)66)25-34-27-55-28-57-34/h27-30,32-33,35-41H,5-26,52H2,1-4H3,(H,55,57)(H,58,71)(H,59,66)(H,60,74)(H,61,69)(H,62,72)(H,63,73)(H,64,75)(H,65,70)(H,67,68)(H,76,77)(H4,53,54,56)/t30-,35?,36+,37+,38-,39-,40+,41+/m1/s1
    MOLECULAR FORMULA
    C51H86N14O12
    CROSS REFERENCES
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    canSAR1271356

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1086.65
    AlogP -0.40
    HBond donors 17
    HBond acceptors 26
    Atoms 163
    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 canSAR1271356.