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canSAR1131702
FEATURES
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NAMES
    SMILES
    COc1ccc(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)C3(CCCCC3)SSC[C@@H](C(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC2=O)cc1
    InChI
    InChI=1S/C50H77N17O14S2/c1-26(68)60-39-46(79)65-33(22-36(51)69)47(80)67-20-8-11-35(67)45(78)63-29(9-6-18-57-48(53)54)41(74)59-24-37(70)61-32(23-38(71)72)44(77)64-31(21-27-12-14-28(81-2)15-13-27)43(76)62-30(10-7-19-58-49(55)56)42(75)66-34(40(52)73)25-82-83-50(39)16-4-3-5-17-50/h12-15,29-35,39H,3-11,16-25H2,1-2H3,(H2,51,69)(H2,52,73)(H,59,74)(H,60,68)(H,61,70)(H,62,76)(H,63,78)(H,64,77)(H,65,79)(H,66,75)(H,71,72)(H4,53,54,57)(H4,55,56,58)/t29-,30-,31+,32-,33-,34-,35+,39+/m0/s1
    MOLECULAR FORMULA
    C50H77N17O14S2
    CROSS REFERENCES
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    canSAR1131702

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1203.53
    AlogP -5.20
    HBond donors 21
    HBond acceptors 31
    Atoms 160
    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 canSAR1131702.