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canSAR1127800
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H]1CSSC[C@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N3CC[C@H](C(=O)N[C@H](C(N)=O)C(C)C)C3)NC2=O)NC1=O
    InChI
    InChI=1S/C61H84N18O12S2/c1-33(2)50(51(62)82)78-52(83)36-20-23-79(29-36)60(91)43-16-9-10-21-66-49(81)19-18-42-54(85)76-46(26-38-28-65-32-69-38)57(88)74-44(24-35-12-5-4-6-13-35)55(86)71-41(17-11-22-67-61(63)64)53(84)75-45(25-37-27-68-40-15-8-7-14-39(37)40)56(87)77-48(59(90)73-43)31-93-92-30-47(58(89)72-42)70-34(3)80/h4-8,12-15,27-28,32-33,36,41-48,50,68H,9-11,16-26,29-31H2,1-3H3,(H2,62,82)(H,65,69)(H,66,81)(H,70,80)(H,71,86)(H,72,89)(H,73,90)(H,74,88)(H,75,84)(H,76,85)(H,77,87)(H,78,83)(H4,63,64,67)/t36-,41-,42+,43-,44-,45+,46-,47+,48+,50-/m0/s1
    MOLECULAR FORMULA
    C61H84N18O12S2
    CROSS REFERENCES
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    canSAR1127800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1324.60
    AlogP -2.18
    HBond donors 18
    HBond acceptors 30
    Atoms 177
    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 canSAR1127800.