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canSAR1143269
FEATURES
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NAMES
    SMILES
    CCCCOc1ccc(C[C@H]2NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC2=O)cc1
    InChI
    InChI=1S/C48H75N17O14S2/c1-3-4-18-79-27-13-11-26(12-14-27)19-30-42(74)60-29(9-6-16-56-48(53)54)41(73)64-33(39(50)71)23-80-81-24-34(58-25(2)66)44(76)63-32(20-36(49)67)46(78)65-17-7-10-35(65)45(77)61-28(8-5-15-55-47(51)52)40(72)57-22-37(68)59-31(21-38(69)70)43(75)62-30/h11-14,28-35H,3-10,15-24H2,1-2H3,(H2,49,67)(H2,50,71)(H,57,72)(H,58,66)(H,59,68)(H,60,74)(H,61,77)(H,62,75)(H,63,76)(H,64,73)(H,69,70)(H4,51,52,55)(H4,53,54,56)/t28-,29-,30+,31-,32-,33-,34-,35+/m0/s1
    MOLECULAR FORMULA
    C48H75N17O14S2
    CROSS REFERENCES
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    canSAR1143269

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1177.51
    AlogP -5.73
    HBond donors 21
    HBond acceptors 31
    Atoms 156
    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 canSAR1143269.