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canSAR1018894
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CCNCCNS(=O)(=O)c1cccc2cnccc12)C(N)=O
    InChI
    InChI=1S/C53H95N29O11S/c54-41(85)32(9-2-18-69-48(55)56)77-42(86)33(10-3-19-70-49(57)58)78-43(87)34(11-4-20-71-50(59)60)79-44(88)35(12-5-21-72-51(61)62)80-45(89)36(13-6-22-73-52(63)64)81-46(90)37(14-7-23-74-53(65)66)82-47(91)38(29-83)76-40(84)17-25-67-26-27-75-94(92,93)39-15-1-8-30-28-68-24-16-31(30)39/h1,8,15-16,24,28,32-38,67,75,83H,2-7,9-14,17-23,25-27,29H2,(H2,54,85)(H,76,84)(H,77,86)(H,78,87)(H,79,88)(H,80,89)(H,81,90)(H,82,91)(H4,55,56,69)(H4,57,58,70)(H4,59,60,71)(H4,61,62,72)(H4,63,64,73)(H4,65,66,74)/t32-,33-,34-,35-,36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C53H95N29O11S
    CROSS REFERENCES
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    canSAR1018894

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1345.75
    AlogP -9.06
    HBond donors 36
    HBond acceptors 40
    Atoms 189
    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 canSAR1018894.