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canSAR1143282
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
    InChI
    InChI=1S/C49H78N18O9/c1-28(2)24-36(44(74)64-35(14-8-22-60-49(56)57)43(73)63-34(13-7-21-59-48(54)55)42(72)62-33(40(51)70)12-6-20-58-47(52)53)65-45(75)37(26-29-10-4-3-5-11-29)66-46(76)38-15-9-23-67(38)39(69)27-61-41(71)32(50)25-30-16-18-31(68)19-17-30/h3-5,10-11,16-19,28,32-38,68H,6-9,12-15,20-27,50H2,1-2H3,(H2,51,70)(H,61,71)(H,62,72)(H,63,73)(H,64,74)(H,65,75)(H,66,76)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t32-,33-,34-,35-,36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C49H78N18O9
    CROSS REFERENCES
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    canSAR1143282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1062.62
    AlogP -4.27
    HBond donors 23
    HBond acceptors 27
    Atoms 154
    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 canSAR1143282.