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canSAR2020673
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)NCCSc1cc(O)n(-c2ccc(CCC(=O)N3CCC3=O)cc2)c1O
    InChI
    InChI=1S/C54H71N11O11S/c1-34(2)27-41(63-53(75)42(29-37-13-7-4-8-14-37)62-50(72)39(56)28-36-11-5-3-6-12-36)52(74)61-40(15-9-10-23-55)51(73)60-33-46(68)59-32-45(67)58-31-44(66)57-24-26-77-43-30-49(71)65(54(43)76)38-19-16-35(17-20-38)18-21-47(69)64-25-22-48(64)70/h3-8,11-14,16-17,19-20,30,34,39-42,71,76H,9-10,15,18,21-29,31-33,55-56H2,1-2H3,(H,57,66)(H,58,67)(H,59,68)(H,60,73)(H,61,74)(H,62,72)(H,63,75)/t39-,40-,41-,42-/m1/s1
    MOLECULAR FORMULA
    C54H71N11O11S
    CROSS REFERENCES
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    canSAR2020673

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1081.51
    AlogP 0.58
    HBond donors 13
    HBond acceptors 22
    Atoms 148
    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 canSAR2020673.